Browse by Current Cardiff authors

Xiang, Haoyue, Ferla, Salvatore, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Brown, Nicola L., Black, Gary W., Turner, Nicholas J. and Castagnolo, Daniele 2023. Biocatalytic and chemo-enzymatic synthesis of quinolines and 2‑quinolones by monoamine oxidase (MAO-N) and horseradish peroxidase (HRP) biocatalysts. ACS Catalysis 13 (5) , pp. 3370-3378. 10.1021/acscatal.2c05902

Pasqualetto, Gaia, Zuanon, Marika, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Young, Mark T ORCID: https://orcid.org/0000-0002-9615-9002 2023. Identification of the molecular determinants of antagonist potency in the allosteric binding pocket of human P2X4. Frontiers in Pharmacology 14 10.3389/fphar.2023.1101023

Salerno, Martina, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Bevilacqua, Federica, Jochmans, Dirk, Neyts, Johan, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore and Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 2023. Rational design of novel nucleoside analogues reveals potent antiviral agents for EV71. European Journal of Medicinal Chemistry 246 , 114942. 10.1016/j.ejmech.2022.114942

Pasqualetto, Gaia, Zuanon, Marika, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Young, Mark T. ORCID: https://orcid.org/0000-0002-9615-9002 2023. Identification of a novel P2X7 antagonist using structure-based virtual screening. Frontiers in Pharmacology 13 , 1094607. 10.3389/fphar.2022.1094607

Alle, Thibault, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Yao, Yuemang, Lucero, Bobby, Nzou, Goodwell, Demuro, Stefania, Muench, Megan, Vuong, Khoa D., Oukoloff, Killian, Cornec, Anne-Sophie, Francisco, Karol R., Caffrey, Conor R., Lee, Virginia M.-Y., Smith, Amos B., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Brunden, Kurt R. and Ballatore, Carlo 2023. Microtubule-stabilizing 1,2,4-Triazolo[1,5-a]pyrimidines as candidate therapeutics for neurodegenerative disease: Matched molecular pair analyses and computational studies reveal new structure-activity insights. Journal of Medicinal Chemistry 66 (1) , pp. 435-459. 10.1021/acs.jmedchem.2c01411

Varricchio, Carmine, Mathez, Gregory, Pillonel, Trestan, Bertelli, Claire, Kaiser, Laurent, Tapparel, Caroline, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Cagno, Valeria 2022. Geneticin shows selective antiviral activity against SARS-CoV-2 by interfering with programmed -1 ribosomal frameshifting. Antiviral Research 208 , 105452. 10.1016/j.antiviral.2022.105452

Giancotti, Gilda, Nannetti, Giulio ORCID: https://orcid.org/0000-0003-3227-1537, Padalino, Gilda, Landini, Martina, Santos-Ferreira, Nanci, Van Dycke, Jana, Naccarato, Valentina, Patel, Usheer, Silvestri, Romano, Neyts, Johan, Gozalbo-Rovira, Roberto, Rodríguez-Díaz, Jésus, Rocha-Pereira, Joana, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237 and Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 2022. Structural investigations on novel non-nucleoside inhibitors of human norovirus polymerase. Viruses 15 (1) , 74. 10.3390/v15010074

Picarazzi, Francesca, Zuanon, Marika, Pasqualetto, Gaia, Cammarone, Silvia, Romeo, Isabella, Young, Mark T. ORCID: https://orcid.org/0000-0002-9615-9002, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Bassetto, Marcella and Mori, Mattia 2022. Identification of small molecular chaperones binding p23h mutant opsin through an in silico structure-based approach. Journal of Chemical Information and Modeling 62 (22) , pp. 5794-5805. 10.1021/acs.jcim.2c01040 Item availability restricted.

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Carter, Kara, Delang, Leen, Deval, Jerome, Durantel, David, Gentry, Brian G., Jordan, Robert, Julander, Justin G., Lo, Michael K., Pérez-Pérez, Maria-Jesús, Schang, Luis M., Seley-Radtke, Katherine L., Shi, Pei-Yong, Vasudevan, Subhash G., Whitley, Richard J. and Spengler, Jessica R. 2022. Meeting report: 34th international conference on antiviral research. Antiviral Chemistry and Chemotherapy 30 , pp. 1-24. 10.1177/20402066221130853

Menendez-Gonzalez, Juan Bautista, Strange, Kathryn E., Bassetto, Marcella, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Rodrigues, Neil P. ORCID: https://orcid.org/0000-0002-1925-7733 and Ferla, Salvatore 2022. Ligand-based discovery of a novel GATA2 inhibitor targeting acute myeloid leukemia cells. Frontiers In Drug Discovery 2 , 1013229. 10.3389/fddsv.2022.1013229

Romagnoli, Romeo, Oliva, Paola, Prencipe, Filippo, Manfredini, Stefano, Budassi, Federica, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Hamel, Ernest, Corallo, Diana, Aveic, Sanja, Manfreda, Lorenzo, Mariotto, Elena, Bortolozzi, Roberta and Viola, Giampietro 2022. Design, synthesis and biological investigation of 2-anilino triazolopyrimidines as tubulin polymerization inhibitors with anticancer activities. Pharmaceuticals 15 (8) , e1031. 10.3390/ph15081031

Hucke, Friederike I. L., Bestehorn-Willmann, Malena, Bassetto, Marcella, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Zanetta, Paola and Bugert, Joachim J. 2022. CHIKV strains Brazil (wt) and Ross (lab-adapted) differ with regard to cell host range and antiviral sensitivity and show CPE in human glioblastoma cell lines U138 and U251. Virus Genes 58 , pp. 188-202. 10.1007/s11262-022-01892-x

Narayanan, Anoop, Narwal, Manju, Majowicz, Sydney A., Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Toner, Shay A., Ballatore, Carlo, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Murakami, Katsuhiko S. and Jose, Joyce 2022. Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay. Communications Biology 5 (1) , 169. 10.1038/s42003-022-03090-9

Hurdiss, Daniel L., El Kazzi, Priscila, Bauer, Lisa, Papageorgiou, Nicolas, Ferron, François P., Donselaar, Tim, van Vliet, Arno L.W., Shamorkina, Tatiana M., Snijder, Joost, Canard, Bruno, Decroly, Etienne, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Zeev-Ben-Mordehai, Tzviya, Förster, Friedrich, van Kuppeveld, Frank J.M. and Coutard, Bruno 2022. Fluoxetine targets an allosteric site in the enterovirus 2C AAA+ ATPase and stabilizes a ring-shaped hexameric complex. Science Advances 8 (1) , eabj7615. 10.1126/sciadv.abj7615

Padalino, Gilda, El-Sakkary, Nelly, Liu, Lawrence J., Liu, Chenxi, Harte, Danielle S.G., Barnes, Rachel E., Sayers, Edward ORCID: https://orcid.org/0000-0002-2621-1119, Forde-Thomas, Josephine, Whiteland, Helen, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Ferla, Salvatore, Johnson, George, Jones, Arwyn T. ORCID: https://orcid.org/0000-0003-2781-8905, Caffrey, Conor R., Chalmers, Iain, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Hoffmann, Karl F. 2021. Anti-schistosomal activities of quinoxaline-containing compounds: From hit identification to lead optimisation. European Journal of Medicinal Chemistry 226 , 113823. 10.1016/j.ejmech.2021.113823

Pasqualetto, Gaia, Pileggi, Elisa, Schepelmann, Martin ORCID: https://orcid.org/0000-0002-7017-5426, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Rozanowska, Malgorzata ORCID: https://orcid.org/0000-0003-2913-8954, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Bassetto, Marcella 2021. Ligand-based rational design, synthesis and evaluation of novel potential chemical chaperones for opsin. European Journal of Medicinal Chemistry 226 , 113841. 10.1016/j.ejmech.2021.113841

Gulotta, Maria Rita, Brambilla, Riccardo ORCID: https://orcid.org/0000-0003-3569-5706, Perricone, Ugo and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2021. A rational design of α-helix-shaped peptides employing the hydrogen-bond surrogate approach: A modulation strategy for Ras-RasGRF1 interaction in neuropsychiatric disorders. Pharmaceuticals 14 (11) , 1099. 10.3390/ph14111099

Bassetto, Marcella and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2021. The search for antivirals to treat alphavirus infections. Annual Reports in Medicinal Chemistry, Vol. 57. Coronaviruses and other Novel Antiviral Targets, Elsevier, pp. 133-151. (10.1016/bs.armc.2021.09.002)

Queirós-Reis, Luís, Gomes da Silva, Priscilla, Gonçalves, José, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Bassetto, Marcella and Mesquita, João R. 2021. SARS-CoV-2 virus-host interaction: currently available structures and implications of variant emergence on infectivity and immune response. International Journal of Molecular Sciences 22 (19) , 10836. 10.3390/ijms221910836

Menzies, Georgina ORCID: https://orcid.org/0000-0002-6600-6507, Prior, Ian A., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Reed, Simon H. ORCID: https://orcid.org/0000-0002-4711-0560 and Lewis, Paul D. 2021. Carcinogen-induced DNA structural distortion differences in the RAS gene isoforms; the importance of local sequence. BMC Chemistry 15 , 51. 10.1186/s13065-021-00777-8

Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Knight, William, Ho, Pui Kei, Saporito, Fabiana, Tropea, Beatrice, Fagan, Giulio, Flude, Ben Matthew, Bevilacqua, Federica, Santos-Ferreira, Nanci, Van Dycke, Jana, Neyts, Johan, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Rocha-Pereira, Joana and Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 2021. Structure-activity relationship studies on novel antiviral agents for norovirus infections. Microorganisms 9 (9) , 1795. 10.3390/microorganisms9091795

Romagnoli, Romeo, Preti, Delia, Hamel, Ernest, Bortolozzi, Roberta, Viola, Giampietro, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore, Morciano, Giampaolo and Pinton, Paolo 2021. Concise synthesis and biological evaluation of 2-Aryl-3-Anilinobenzo[b]thiophene derivatives as potent apoptosis-inducing agents. Bioorganic Chemistry 112 , 104919. 10.1016/j.bioorg.2021.104919

Francisco, Karol R., Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Paniak, Thomas J., Kozlowski, Marisa C., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Ballatore, Carlo 2021. Structure property relationships of N-acylsulfonamides and related bioisosteres. European Journal of Medicinal Chemistry 218 , 113399. 10.1016/j.ejmech.2021.113399

Gulotta, Maria Rita, De Simone, Giada, John, Justin, Perricone, Ugo and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2021. A computer-based methodology to design non-standard peptides potentially able to prevent HOX-PBX1-associated cancer diseases. International Journal of Molecular Sciences 22 (11) , 5670. 10.3390/ijms22115670

Soukupova, Jitka, Bordoni, Cinzia, Turnham, Daniel J. ORCID: https://orcid.org/0000-0002-2540-7363, Yang, William W., Seaton, Gillian, Gruca, Aleksandra, French, Rhiannon, Lee, Kok Yung, Varnava, Athina, Piggott, Luke, Clarkson, Richard W. E. ORCID: https://orcid.org/0000-0001-7389-8673, Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2021. The discovery of a novel anti-metastatic Bcl3 inhibitor. Molecular Cancer Therapeutics 10 (5) , pp. 775-786. 10.1158/1535-7163.MCT-20-0283

Eigel, Dimitri, Schuster, Romy, Männel, Max J., Thiele, Julian, Panasiuk, Martyna J., Andreae, Laura C., Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Welzel, Petra B., Huttner, Wieland B., Werner, Carsten, Newland, Ben ORCID: https://orcid.org/0000-0002-5214-2604 and Long, Katherine R. 2021. Sulfonated cryogel scaffolds for focal delivery in ex-vivo brain tissue cultures. Biomaterials 271 , 120712. 10.1016/j.biomaterials.2021.120712

Romagnoli, Romeo, Oliva, Paola, Salvador, Maria Kimatrai, Manfredini, Stefano, Padroni, Chiara, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore, Hamel, Ernest, Ronca, Roberto, Maccarinelli, Federica, Rruga, Fatlum, Mariotto, Elena, Viola, Giampietro and Bortolozzi, Roberta 2021. A facile synthesis of diaryl pyrroles led to the discovery of potent colchicine site antimitotic agents. European Journal of Medicinal Chemistry 214 , 113229. 10.1016/j.ejmech.2021.113229

Flude, Ben M., Nannetti, Giulio ORCID: https://orcid.org/0000-0003-3227-1537, Mitchell, Paige, Compton, Nina, Richards, Chloe, Heurich, Meike ORCID: https://orcid.org/0000-0003-0105-2702, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237 and Bassetto, Marcella 2021. Targeting the complement serine protease MASP-2 as a therapeutic strategy for coronavirus infections. Viruses 13 (2) , 312. 10.3390/v13020312

Oukoloff, Killian, Nzou, Goodwell, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Lucero, Bobby, Alle, Thibault, Kovalevich, Jane, Monti, Ludovica, Cornec, Anne-Sophie, Yao, Yuemang, James, Michael J., Trojanowski, John Q., Lee, Virginia M.-Y., Smith, Amos B., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Brunden, Kurt R. and Ballatore, Carlo 2021. Evaluation of the structure-activity relationship of microtubule-targeting 1,2,4-Triazolo[1,5-a]pyrimidines identifies new candidates for neurodegenerative tauopathies. Journal of Medicinal Chemistry 64 (2) , pp. 1073-1102. 10.1021/acs.jmedchem.0c01605

Ng, Wing Sum Vincent, Trigano, Matthieu, Freeman, Thomas, Varrichio, Carmine, Kandaswamy, Dinesh Kumar, Newland, Ben ORCID: https://orcid.org/0000-0002-5214-2604, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Rozanowska, Malgorzata ORCID: https://orcid.org/0000-0003-2913-8954 and Votruba, Marcela ORCID: https://orcid.org/0000-0002-7680-9135 2021. New avenues for therapy in mitochondrial optic neuropathies. Therapeutic Advances in Rare Disease 2 , pp. 1-14. 10.1177/26330040211029037

Grimes, Leanne, Griffiths, Julia, Pasqualetto, Gaia, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Kemp, Paul J. ORCID: https://orcid.org/0000-0003-2773-973X, Young, Mark T. ORCID: https://orcid.org/0000-0002-9615-9002 and van der Goes van Naters, Wynand ORCID: https://orcid.org/0000-0002-6808-0161 2020. Drosophila taste neurons as an agonist-screening platform for P2X receptors. Scientific Reports 10 , 8292. 10.1038/s41598-020-65169-9

Bufano, Marianna, Laudette, Marion, Blondeau, Jean-Paul, Lezoualc'h, Frank, Nalli, Marianna, Silvestri, Romano, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Coluccia, Antonio 2020. Modeling Epac1 interactions with the allosteric inhibitor AM-001 by co-solvent molecular dynamics. Journal of Computer-Aided Molecular Design 34 , pp. 1171-1179. 10.1007/s10822-020-00332-y

ter Horst, Sebastiaan, Fernandez-Garcia, Yaiza, Bassetto, Marcella, Günther, Stephan, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Neyts, Johan and Rocha-Pereira, Joana 2020. Enhanced efficacy of endonuclease inhibitor baloxavir acid against orthobunyaviruses when used in combination with ribavirin. Journal of Antimicrobial Chemotherapy 75 (11) , pp. 3189-3193. 10.1093/jac/dkaa337

Fernández-García, Yaiza, Horst, Sebastiaan ter, Bassetto, Marcella, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Neyts, Johan, Rogolino, Dominga, Sechi, Mario, Carcelli, Mauro, Günther, Stephan and Rocha-Pereira, Joana 2020. Diketo acids inhibit the cap-snatching endonuclease of several Bunyavirales. Antiviral Research 183 , 104947. 10.1016/j.antiviral.2020.104947

Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Beirne, Kathy, Aeschlimann, Pascale, Heard, Charles ORCID: https://orcid.org/0000-0001-9703-9777, Rozanowska, Malgorzata ORCID: https://orcid.org/0000-0003-2913-8954, Votruba, Marcela ORCID: https://orcid.org/0000-0002-7680-9135 and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2020. Discovery of Novel 2-Aniline-1,4-naphthoquinones as potential new drug treatment for Leber’s hereditary optic neuropathy (LHON). Journal of Medicinal Chemistry 63 (22) , 13638 -13655. 10.1021/acs.jmedchem.0c00942

Thames, Joy E., Waters, Charles D., Valle, Coralie, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Aouadi, Wahiba, Martin, Baptiste, Selisko, Barbara, Falat, Arissa, Coutard, Bruno, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Canard, Bruno, Decroly, Etienne and Seley-Radtke, Katherine L. 2020. Synthesis and biological evaluation of novel flexible nucleoside analogues that inhibit flavivirus replication in vitro. Bioorganic and Medicinal Chemistry 28 (22) , 115713. 10.1016/j.bmc.2020.115713

Padalino, Gilda, Chalmers, Iain W., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Hoffmann, Karl F. 2020. Identification of 6-(piperazin-1-yl)-1,3,5-triazine as a chemical scaffold with broad anti-schistosomal activities. Wellcome Open Research 5 , 169. 10.12688/wellcomeopenres.16069.2

Bauer, Lisa, Manganaro, Roberto, Zonsics, Birgit, Hurdiss, Daniel L., Zwaagstra, Marleen, Donselaar, Tim, Welter, Naemi G. E., van Kleef, Regina G. D. M., Lopez, Moira Lorenzo, Bevilacqua, Federica, Raman, Thamidur, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Neyts, Johan, Strating, Jeroen R. P. M., Westerink, Remco H. S., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and van Kuppeveld, Frank J. M. 2020. Rational design of highly potent broad-spectrum enterovirus inhibitors targeting the nonstructural protein 2C. PLOS Biology 18 (11) , e3000904. 10.1371/journal.pbio.3000904

Pasqualetto, Gaia, Schepelmann, Martin ORCID: https://orcid.org/0000-0002-7017-5426, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Pileggi, Elisa, Khogali, Caroline, Morgan, Siân R., Boostrom, Ian, Rozanowska, Malgorzata ORCID: https://orcid.org/0000-0003-2913-8954, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237 and Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 2020. Computational studies towards the identification of novel rhodopsin-binding compounds as chemical chaperones for misfolded opsins. Molecules 25 (21) , 4904. 10.3390/molecules25214904

Zelek, Wioleta M., Menzies, Georgina E. ORCID: https://orcid.org/0000-0002-6600-6507, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Stockinger, Brigitta and Morgan, B. Paul ORCID: https://orcid.org/0000-0003-4075-7676 2020. Characterising the original anti-C5 function-blocking antibody, BB5.1, for species specificity, mode of action and interactions with C5. Immunology 161 (2) , pp. 103-113. 10.1111/imm.13228

Bassetto, Marcella, Cima, Cecilia M., Basso, Mattia, Salerno, Martina, Schwarze, Frank, Friese, Daniela, Bugert, Joachim J. and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2020. Novel nucleoside analogues as affective antiviral agents for Zika virus infections. Molecules 25 (20) , 4813. 10.3390/molecules25204813

Newland, Ben ORCID: https://orcid.org/0000-0002-5214-2604, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Körner, Yvonne, Hoppe, Franziska, Taplan, Christian, Newland, Heike ORCID: https://orcid.org/0000-0002-5214-2604, Eigel, Dimitri, Tornillo, Giusy, Pette, Dagmar, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Welzel, Petra B., Seib, F. Philipp and Werner, Carsten 2020. Focal drug administration via heparin-containing cryogel microcarriers reduces cancer growth and metastasis. Carbohydrate Polymers 245 , 116504. 10.1016/j.carbpol.2020.116504

Oliva, Paola, Romagnoli, Romeo, Manfredini, Stefano, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Hamel, Ernest, Ronca, Roberto, Maccarinelli, Federica, Giacomini, Arianna, Rruga, Fatlum, Mariotto, Elena, Viola, Giampietro and Bortolozzi, Roberta 2020. Design, synthesis, in vitro and in vivo biological evaluation of 2-amino-3-aroylbenzo[b]furan derivatives as highly potent tubulin polymerization inhibitors. European Journal of Medicinal Chemistry 200 , 112448. 10.1016/j.ejmech.2020.112448

Manganaro, Roberto, Zonsics, Birgit, Bauer, Lisa, Lorenzo Lopez, Moira, Donselaar, Tim, Zwaagstra, Marleen, Saporito, Fabiana, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Strating, Jeroen R. P. M., Coutard, Bruno, Hurdiss, Daniel L., van Kuppeveld, Frank J. M. and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2020. Synthesis and antiviral effect of novel fluoxetine analogues as enterovirus 2C inhibitors. Antiviral Research 178 , 104781. 10.1016/j.antiviral.2020.104781

Zhao, Fei, Masci, Domiziana, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Colonna, Serena, Black, Gary W., Turner, Nicholas J. and Castagnolo, Daniele 2020. Monoamine oxidase (MAO-N) biocatalyzed synthesis of indoles from indolines prepared via photocatalytic cyclization/arylative dearomatization. ACS Catalysis 10 (11) , pp. 6414-6421. 10.1021/acscatal.0c01351

Varricchio, C. ORCID: https://orcid.org/0000-0002-1673-4768, Beirne, K., Heard, C. ORCID: https://orcid.org/0000-0001-9703-9777, Newland, B. ORCID: https://orcid.org/0000-0002-5214-2604, Rozanowska, M. ORCID: https://orcid.org/0000-0003-2913-8954, Brancale, A. ORCID: https://orcid.org/0000-0002-9728-3419 and Votruba, M. ORCID: https://orcid.org/0000-0002-7680-9135 2020. The ying and yang of idebenone: Not too little, not too much - cell death in NQO1 deficient cells and the mouse retina. Free Radical Biology and Medicine 152 , pp. 551-560. 10.1016/j.freeradbiomed.2019.11.030

Bugert, J. J., Hucke, F., Zanetta, P., Bassetto, Marcella and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2020. Antivirals in medical biodefense. Virus Genes 56 (2) , pp. 150-167. 10.1007/s11262-020-01737-5

Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Manganaro, Roberto, Benato, Sara, Paulissen, Jasmine, Neyts, Johan, Jochmans, Dirk, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 2020. Rational modifications, synthesis and biological evaluation of new potential antivirals for RSV designed to target the M2-1 protein. Bioorganic and Medicinal Chemistry 28 (8) , 115401. 10.1016/j.bmc.2020.115401

Hewitt, Melissa G., Morrison, Peter W. J. ORCID: https://orcid.org/0000-0002-3712-7908, Boostrom, Hannah M. ORCID: https://orcid.org/0000-0002-7367-3631, Morgan, Siân R., Fallon, Melissa ORCID: https://orcid.org/0000-0002-0267-3829, Lewis, Philip N. ORCID: https://orcid.org/0000-0002-3353-0708, Whitaker, David ORCID: https://orcid.org/0000-0002-8271-7552, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Varricchio, Carmine ORCID: https://orcid.org/0000-0002-1673-4768, Quantock, Andrew J. ORCID: https://orcid.org/0000-0002-2484-3120, Burton, Matthew J. and Heard, Charles M. ORCID: https://orcid.org/0000-0001-9703-9777 2020. In Vitro Topical Delivery of Chlorhexidine to the Cornea: Enhancement Using Drug-Loaded Contact Lenses and β-Cyclodextrin Complexation, and the Importance of Simulating Tear Irrigation. Molecular Pharmaceutics 17 (4) , pp. 1428-1441. 10.1021/acs.molpharmaceut.0c00140

Romagnoli, Romeo, Prencipe, Filippo, Oliva, Paola, Cacciari, Barbara, Balzarini, Jan, Liekens, Sandra, Hamel, Ernest, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Manfredini, Stefano, Zurlo, Matteo, Finotti, Alessia and Gambari, Roberto 2020. Synthesis and biological evaluation of new antitubulin agents containing 2-(3?,4?,5?-trimethoxyanilino)-3,6-disubstituted-4,5,6,7-tetrahydrothieno[2,3-c]pyridine scaffold. Molecules 25 (7) , 1690. 10.3390/molecules25071690

Albulescu, Irina C., White-Scholten, Leonie, Tas, Ali, Hoornweg, Tabitha E., Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Kovacikova, Kristina, Smit, Jolanda M., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Snijder, Eric J. and van Hemert, Martijn J. 2020. Suramin inhibits Chikungunya virus replication by interacting with virions and blocking the early steps of infection. Viruses 12 (3) , 314. 10.3390/v12030314

Giancotti, Gilda, Rigo, Ilaria, Pasqualetto, Gaia, Young, Mark T. ORCID: https://orcid.org/0000-0002-9615-9002, Neyts, Johan, Rocha-Pereira, Joana, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237 and Bassetto, Marcella 2019. A new antiviral scaffold for human norovirus identified with computer-aided approaches on the viral polymerase. Scientific Reports 9 (1) , 18413. 10.1038/s41598-019-54903-7

Padalino, Gilda, Whatley, Kezia C. L., Whiteland, Helen, Geyer, Kathrin K., Hulme, Benjamin J., Chalmers, Iain W., Forde-Thomas, Josephine, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Hoffmann, Karl F. 2019. The repositioning of epigenetic probes/inhibitors identifies new anti-schistosomal lead compounds and chemotherapeutic targets. PLOS Neglected Tropical Diseases 13 (11) , e0007693. 10.1371/journal.pntd.0007693

Pertusati, Fabrizio ORCID: https://orcid.org/0000-0003-4532-9101, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Kandil, Sahar ORCID: https://orcid.org/0000-0003-1806-9623, Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 and McGuigan, Christopher 2019. A new series of bicalutamide, enzalutamide and enobosarm derivatives carrying pentafluorosulfanyl (SF5) and pentafluoroethyl (C2F5) substituents: Improved antiproliferative agents against prostate cancer. European Journal of Medicinal Chemistry 180 , pp. 1-14. 10.1016/j.ejmech.2019.07.001

Bauer, Lisa, Manganaro, Roberto, Zonsics, Birgit, Strating, Jeroen R. P. M., El Kazzi, Priscila, Lorenzo Lopez, Moira, Ulferts, Rachel, van Hoey, Clara, Maté, Maria J., Langer, Thierry, Coutard, Bruno, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and van Kuppeveld, Frank J. M. 2019. Fluoxetine inhibits enterovirus replication by targeting the viral 2C protein in a stereospecific manner. ACS Infectious Diseases 5 (9) , pp. 1609-1623. 10.1021/acsinfecdis.9b00179

Pasqualetto, Gaia, Pileggi, Elisa, Schepelmann, Martin ORCID: https://orcid.org/0000-0002-7017-5426, Heard, Charles ORCID: https://orcid.org/0000-0001-9703-9777, Young, Mark Thomas ORCID: https://orcid.org/0000-0002-9615-9002, Rozanowska, Malgorzata B. ORCID: https://orcid.org/0000-0003-2913-8954, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Bassetto, Marcella 2019. Novel small-molecule chaperones to overcome opsin misfolding, mistrafficking and aggregation in retinal blinding diseases. Presented at: 2019 ARVO Annual Meeting, Vancouver, Canada, 28 April - 02 May 2019. Investigative ophthalmology & visual science. , vol.60 (9) ARVO,

Bordoni, Cinzia, Cima, Cecilia Maria, Azzali, Elisa, Costantino, Gabriele and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2019. Microwave-assisted organic synthesis of nucleoside ProTide analogues. RSC Advances 9 (35) , pp. 20113-20117. 10.1039/C9RA01754B

Płaszczyca, Anna, Scaturro, Pietro, Neufeldt, Christopher John, Cortese, Mirko, Cerikan, Berati, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Pichlmair, Andreas and Bartenschlager, Ralf 2019. A novel interaction between dengue virus nonstructural protein 1 and the NS4A-2K-4B precursor is required for viral RNA replication but not for formation of the membranous replication organelle. PLoS Pathogens 15 (5) , e1007736. 10.1371/journal.ppat.1007736

Pileggi, Elisa, Pasqualetto, Gaia, Rozanowska, Malgorzata ORCID: https://orcid.org/0000-0003-2913-8954, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 2019. Development of novel treatments against inherited blinding diseases Retinitis pigmentosa and Leber's congenital amaurosis [Abstract]. Abstracts of Papers of the American Chemical Society 257 , 318.

Morigi, Rita, Locatelli, Alessandra, Leoni, Alberto, Rambaldi, Mirella, Bortolozzi, Roberta, Mattiuzzo, Elena, Ronca, Roberto, Maccarinelli, Federica, Hamel, Ernest, Bai, Ruoli, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Viola, Giampietro 2019. Synthesis, in vitro and in vivo biological evaluation of substituted 3-(5-imidazo[2,1-b]thiazolylmethylene)-2-indolinones as new potent anticancer agents. European Journal of Medicinal Chemistry 166 , pp. 514-530. 10.1016/j.ejmech.2019.01.049

Bassetto, Marcella, Van Dycke, Jana, Neyts, Johan, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Rocha-Pereira, Joana 2019. Targeting the viral polymerase of diarrhea-causing viruses as a strategy to develop a single broad-spectrum antiviral therapy. Viruses 11 (2) , 173. 10.3390/v11020173

Romagnoli, Romeo, Prencipe, Filippo, Oliva, Paola, Baraldi, Stefania, Baraldi, Pier Giovanni, Schiaffino Ortega, Santiago, Chayah, Mariem, Kimatrai Salvador, Maria, Lopez-Cara, Luisa Carlota, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Hamel, Ernest, Ronca, Roberto, Bortolozzi, Roberta, Mariotto, Elena, Mattiuzzo, Elena and Viola, Giampietro 2019. Design, synthesis, and biological evaluation of 6-Substituted Thieno[3,2-d]pyrimidine analogues as dual epidermal growth factor receptor kinase and microtubule inhibitors. Journal of Medicinal Chemistry 62 (3) , pp. 1274-1290. 10.1021/acs.jmedchem.8b01391

Fosu-Mensah, Nelly A. ORCID: https://orcid.org/0000-0003-1872-8529, Jiang, Wen ORCID: https://orcid.org/0000-0002-3283-1111, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Cai, Jun and Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 2019. The discovery of purine-based agents targeting triple-negative breast cancer and the αB-crystallin/VEGF protein-protein interaction. Medicinal Chemistry Research 28 (2) , pp. 182-202. 10.1007/s00044-018-2275-9

Padalino, Gilda, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Chalmers, Iain W. and Hoffmann, Karl F. 2018. Combining bioinformatics, cheminformatics, functional genomics and whole organism approaches for identifying epigenetic drug targets in Schistosoma mansoni. International Journal for Parasitology: Drugs and Drug Resistance 8 (3) , pp. 559-570. 10.1016/j.ijpddr.2018.10.005

Bauer, Lisa, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Head, Sarah A., Bhat, Shridhar, Pasunooti, Kalyan K., Shi, Wei Q., Albulescu, Lucian, Liu, Jun O., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, van Kuppeveld, Frank J.M. and Strating, Jeroen R.P.M. 2018. Structure-activity relationship study of itraconazole, a broad-range inhibitor of picornavirus replication that targets oxysterol-binding protein (OSBP). Antiviral Research 156 , pp. 55-63. 10.1016/j.antiviral.2018.05.010

Romagnoli, Romeo, Prencipe, Filippo, Oliva, Paola, Baraldi, Stefania, Baraldi, Pier Giovanni, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Hamel, Ernest, Bortolozzi, Roberta and Viola, Giampietro 2018. 3-Aryl/Heteroaryl-5-amino-1-(3′,4′,5′-trimethoxybenzoyl)-1,2,4-triazoles as antimicrotubule agents. design, synthesis, antiproliferative activity and inhibition of tubulin polymerization. Bioorganic Chemistry 80 , pp. 361-374. 10.1016/j.bioorg.2018.06.037

Giancotti, Gilda, Cancellieri, Michela, Balboni, Andrea, Giustiniano, Mariateresa, Novellino, Ettore, Delang, Leen, Neyts, Johan, Leyssen, Pieter, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 2018. Rational modifications on a benzylidene-acrylohydrazide antiviral scaffold, synthesis and evaluation of bioactivity against Chikungunya virus. European Journal of Medicinal Chemistry 149 , pp. 56-68. 10.1016/j.ejmech.2018.02.054

Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Netzler, Natalie E., Ferla, Sebastiano ORCID: https://orcid.org/0000-0002-5918-9237, Veronese, Sofia, Tuipulotu, Daniel Enosi, Guccione, Salvatore, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, White, Peter A. and Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 2018. In silico screening for human norovirus antivirals reveals a novel non-nucleoside inhibitor of the viral polymerase. Scientific Reports 8 (4129) , 4129. 10.1038/s41598-018-22303-y

Tardugno, Roberta, Giancotti, Gilda, De Burghgraeve, Tine, Delang, Leen, Neyts, Johan, Leyssen, Pieter, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 2018. Design, synthesis and evaluation against Chikungunya virus of novel small-molecule antiviral agents. Bioorganic and Medicinal Chemistry 26 (4) , pp. 869-874. 10.1016/j.bmc.2018.01.002

Pasqualetto, Gaia, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Young, Mark T. ORCID: https://orcid.org/0000-0002-9615-9002 2018. The molecular determinants of small-molecule ligand binding at P2X receptors. Frontiers in Pharmacology 9 , 58. 10.3389/fphar.2018.00058

Slusarczyk, Magdalena ORCID: https://orcid.org/0000-0002-4707-7190, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and McGuigan, Christopher 2018. Synthesis and biological evaluation of 6-substituted-5-fluorouridine ProTides. Bioorganic and Medicinal Chemistry 26 (3) , pp. 551-565. 10.1016/j.bmc.2017.11.037

Ferrara, M., Sessa, G., Fiore, M., Bernard, F., Asteriti, I. A., Cundari, E., Colotti, G., Ferla, S. ORCID: https://orcid.org/0000-0002-5918-9237, Desideri, M., Buglioni, S., Trisciuoglio, D., Del Bufalo, D., Brancale, A. ORCID: https://orcid.org/0000-0002-9728-3419 and Degrassi, F. 2018. Small molecules targeted to the microtubule-Hec1 interaction inhibit cancer cell growth through microtubule stabilization. Oncogene 37 , pp. 231-240. 10.1038/onc.2017.320

Romagnoli, Romeo, Kimatrai Salvador, Maria, Schiaffino Ortega, Santiago, Baraldi, Pier Giovanni, Oliva, Paola, Baraldi, Stefania, Lopez-Cara, Luisa Carlota, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Hamel, Ernest, Balzarini, Jan, Liekens, Sandra, Mattiuzzo, Elena, Basso, Giuseppe and Viola, Giampietro 2018. 2-Alkoxycarbonyl-3-arylamino-5-substituted thiophenes as a novel class of antimicrotubule agents: Design, synthesis, cell growth and tubulin polymerization inhibition. European Journal of Medicinal Chemistry 143 , pp. 683-698. 10.1016/j.ejmech.2017.11.096

Lauder, Sarah N., Allen-Redpath, Keith, Slatter, David A., Aldrovandi, Maceler, O'Connor, Anne, Farewell, Daniel ORCID: https://orcid.org/0000-0002-8871-1653, Percy, Charles L., Molhoek, Jessica E., Rannikko, Sirpa, Tyrrell, Victoria J., Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Milne, Ginger L., Poole, Alastair W., Thomas, Christopher P. ORCID: https://orcid.org/0000-0001-5840-8613, Obaji, Samya, Taylor, Philip R., Jones, Simon A. ORCID: https://orcid.org/0000-0001-7297-9711, deGroot, Philip G., Urbanus, Rolf T., Horkko, Sohvi, Uderhardt, Stefan, Ackermann, Jochen, Jenkins, P. Vince, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Kronke, Gerhard, Collins, Peter W. ORCID: https://orcid.org/0000-0002-6410-1324 and O'Donnell, Valerie B. ORCID: https://orcid.org/0000-0003-4089-8460 2017. Networks of enzymatically oxidized membrane lipids support calcium-dependent coagulation factor binding to maintain hemostasis. Science Signaling 10 (507) , eaan2787. 10.1126/scisignal.aan2787

Netzler, Natalie E., Enosi Tuipulotu, Daniel, Eltahla, Auda A., Lun, Jennifer H., Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Urakova, Nadya, Frese, Michael, Strive, Tanja, Mackenzie, Jason M. and White, Peter A. 2017. Broad-spectrum non-nucleoside inhibitors for caliciviruses. Antiviral Research 146 , pp. 65-75. 10.1016/j.antiviral.2017.07.014

Derudas, Marco, Vanpouille, Christophe, Carta, Davide, Zicari, Sonia, Andrei, Graciela, Snoeck, Robert, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Margolis, Leonid, Balzarini, Jan and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2017. Virtual screening of acyclovir derivatives as potential antiviral agents: design, synthesis, and biological evaluation of new acyclic nucleoside protides. Journal of Medicinal Chemistry 60 (18) , pp. 7876-7896. 10.1021/acs.jmedchem.7b01009

Famiglini, Valeria, La Regina, Giuseppe, Coluccia, Antonio, Masci, Domiziana, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Badia, Roger, Riveira Muñoz, Eva, Este, Jose A., Crespan, Emmanuele, Brambilla, Alessandro, Maga, Giovanni, Catalano, Myriam, Limatola, Cristina, Formica, Francesca Romana Romana, Cirilli, Roberto, Novellino, Ettore and Silvestri, Romano 2017. Chiral indolylarylsulfone non-nucleoside reverse transcriptase inhibitors as new potent and broad spectrum anti-HIV-1 agents. Journal of Medicinal Chemistry 60 (15) , pp. 6528-6547. 10.1021/acs.jmedchem.6b01906

Bassetto, Marcella, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Giancotti, Gilda, Pertusati, Fabrizio ORCID: https://orcid.org/0000-0003-4532-9101, Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and McGuigan, Christopher 2017. Rational design and synthesis of novel phenylsulfonyl-benzamides as anti-prostate cancer agents. MedChemComm 8 (7) , pp. 1414-1420. 10.1039/C7MD00164A

La Regina, Giuseppe, Bai, Ruoli, Coluccia, Antonio, Famiglini, Valeria, Passacantilli, Sara, Naccarato, Valentina, Ortar, Giorgio, Mazzoccoli, Carmela, Ruggieri, Vitalba, Agriesti, Francesca, Piccoli, Claudia, Tataranni, Tiziana, Nalli, Marianna, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Vultaggio, Stefania, Mercurio, Ciro, Varasi, Mario, Saponaro, Concetta, Sergio, Sara, Maffia, Michele, Coluccia, Addolorata Maria Luce, Hamel, Ernest and Silvestri, Romano 2017. 3-Aroyl-1,4-diarylpyrroles inhibit chronic myeloid leukemia cell growth through an interaction with tubulin. ACS Medicinal Chemistry Letters 8 (5) , pp. 521-526. 10.1021/acsmedchemlett.7b00022

James, Edward, Pertusati, Fabrizio ORCID: https://orcid.org/0000-0003-4532-9101, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2017. Kinase-independent phosphoramidate S1P1 receptor agonist benzyl ether derivatives. Biorganic and Medicinal Chemistry Letters 27 (6) , pp. 1371-1378. 10.1016/j.bmcl.2017.02.011

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Shailubhai, Kunwar, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Ricci, Antonio, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868 and Jacob, Gary S. 2017. Therapeutically targeting guanylate cyclase-C: computational modeling of plecanatide, a uroguanylin analog. Pharmacology Research & Perspectives 5 (2) , e00295. 10.1002/prp2.295

Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Leyssen, Pieter, Neyts, Johan, Yerukhimovich, Mark M., Frick, David N. and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2017. Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV. Bioorganic & Medicinal Chemistry Letters 27 (4) , pp. 936-940. 10.1016/j.bmcl.2016.12.087

Hamdy, Rania, Ziedan, Noha, Ali, Samina, Bordoni, Cinzia, El-Sadek, Mohamed, Lashin, Elsaid, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Jones, Arwyn Tomos ORCID: https://orcid.org/0000-0003-2781-8905 and Westwell, Andrew D ORCID: https://orcid.org/0000-0002-5166-9236 2017. Synthesis and evaluation of 5-(1H-indol-3-yl)-N-aryl-1,3,4-oxadiazol-2-amines as Bcl-2 inhibitory anticancer agents. Bioorganic & Medicinal Chemistry Letters 27 (4) , pp. 1037-1040. 10.1016/j.bmcl.2016.12.061

Ziedan, Noha I, Hamdy, Rania, Cavaliere, Alessandra, Kourti, Malamati, Prencipe, Filippo, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Jones, Arwyn T ORCID: https://orcid.org/0000-0003-2781-8905 and Westwell, Andrew ORCID: https://orcid.org/0000-0002-5166-9236 2017. Virtual screening, SAR and discovery of 5-(indole-3-yl)-2-[(2-nitrophenyl)amino] [1,3,4]-oxadiazole as a novel Bcl-2 inhibitor. Chemical Biology and Drug Design 10.1111/cbdd.12936

Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Leyssen, Pieter, Neyts, Johan, Yerukhimovich, Mark M., Frick, David N., Courtney-Smith, Matthew and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2017. In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase. European Journal of Medicinal Chemistry 125 , pp. 1115-1131. 10.1016/j.ejmech.2016.10.043

Romagnoli, Romeo, Baraldi, Pier Giovanni, Prencipe, Filippo, Oliva, Paola, Baraldi, Stefania, Salvador, Maria Kimatrai, Lopez-Cara, Luisa Carlota, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Hamel, Ernest, Ronca, Roberto, Bortolozzi, Roberta, Mariotto, Elena, Porcù, Elena, Basso, Giuseppe and Viola, Giampietro 2017. Synthesis and Biological Evaluation of 2-Methyl-4,5-Disubstituted Oxazoles as a Novel Class of Highly Potent Antitubulin Agents. Scientific Reports 7 , 46356. 10.1038/srep46356

Kandil, Sahar ORCID: https://orcid.org/0000-0003-1806-9623, Balzarini, Jan, Rat, Stephanie, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2016. ProTides of BVdU as potential anticancer agents upon efficient intracellular delivery of their activated metabolites. Biorganic and Medicinal Chemistry Letters 26 (23) , pp. 5618-5623. 10.1016/j.bmcl.2016.10.077

Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Massarotti, Alberto, Coluccia, Antonio and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2016. Structural biology in antiviral drug discovery. Current Opinion in Pharmacology 30 , pp. 116-130. 10.1016/j.coph.2016.08.014

Papale, Alessandro ORCID: https://orcid.org/0000-0002-8794-0171, Morella, Ilaria Maria ORCID: https://orcid.org/0000-0001-5691-5400, Indrigo, Marzia Tina, Bernardi, Rick Eugene, Marrone, Livia, Marchisella, Francesca, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Spanagel, Rainer, Brambilla, Riccardo ORCID: https://orcid.org/0000-0003-3569-5706 and Fasano, Stefania ORCID: https://orcid.org/0000-0002-3696-7139 2016. Impairment of cocaine-mediated behaviours in mice by clinically relevant Ras-ERK inhibitors. eLife 5 , e17111. 10.7554/eLife.17111

Bassetto, Marcella, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Pertusati, Fabrizio ORCID: https://orcid.org/0000-0003-4532-9101, Kandil, Sahar ORCID: https://orcid.org/0000-0003-1806-9623, Westwell, Andrew ORCID: https://orcid.org/0000-0002-5166-9236, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2016. Design and synthesis of novel bicalutamide and enzalutamide derivatives as antiproliferative agents for the treatment of prostate cancer. European Journal of Medicinal Chemistry 118 , pp. 230-243. 10.1016/j.ejmech.2016.04.052

Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Pertusati, Fabrizio ORCID: https://orcid.org/0000-0003-4532-9101, Kandil, Sahar ORCID: https://orcid.org/0000-0003-1806-9623, Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2016. Rational design and synthesis of novel anti-prostate cancer agents bearing a 3,5-bis-trifluoromethylphenyl moiety. Bioorganic and Medicinal Chemistry Letters 26 (15) , pp. 3636-3640. 10.1016/j.bmcl.2016.06.001

Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Leyssen, Pieter, Neyts, Johan, Yerukhimovich, Mark M., Frick, David N. and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2016. Computer-aided identification, synthesis and evaluation of substituted thienopyrimidines as novel inhibitors of HCV replication. European Journal of Medicinal Chemistry 10.1016/j.ejmech.2016.07.035

Romagnoli, Romeo, Baraldi, Pier Giovanni, Prencipe, Filippo, Oliva, Paola, Baraldi, Stefania, Tabrizi, Mojgan Aghazadeh, Lopez-Cara, Luisa Carlota, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Hamel, Ernest, Ronca, Roberto, Bortolozzi, Roberta, Mariotto, Elena, Basso, Giuseppe and Viola, Giampietro 2016. Design and synthesis of potent in vitro and in vivo anticancer agents based on 1-(3′,4′,5′-Trimethoxyphenyl)- 2-Aryl-1H-Imidazole. Scientific Reports 6 , p. 26602. 10.1038/srep26602

Fedora, Grande, Ines, Barone, Francesca, Aiello, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Cancellieri, Michela, Mariateresa, Badolato, Francesca, Chemi, Cinzia, Giordano, Valentina, Vircillo, Daniela, Bonofiglio, Antonio, Garofalo, Sebastiano, Ando and Stefania, Catalano 2016. Identification of novel 2-(1H-Indol-1-yl)benzohydrazides CXCR4 ligands impairing breast cancer growth and motility. Future Medicinal Chemistry 8 (2) , pp. 93-106. 10.4155/fmc.15.176

Grande, Fedora, Parisi, Ortensia I., Mordocco, Roberta A., Rocca, Carmine, Puoci, Francesco, Scrivano, Luca, Quintieri, Anna M., Cantafio, Patrizia, Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Saturnino, Carmela, Cerra, Maria C., Sinicropi, Maria S. and Angelone, Tommaso 2016. Quercetin derivatives as novel antihypertensive agents: Synthesis and physiological characterization. European Journal of Pharmaceutical Sciences 82 , pp. 161-170. 10.1016/j.ejps.2015.11.021

Coluccia, Antonio, Regina, Giuseppe, Barilone, Nathalie, Lisa, María-Natalia, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, André-Leroux, Gwenaëlle, Alzari, Pedro and Silvestri, Romano 2016. Structure-based virtual screening to get new scaffold inhibitors of the Ser/Thr protein kinase PknB from mycobacterium tuberculosis. Letters in Drug Design & Discovery 13 (10) , pp. 1012-1018. 10.2174/1570180813666160801162204

Cancellieri, Michela, Bassetto, Marcella, Widjaja, Ivy, van Kuppeveld, Frank, de Haan, Cornelis A.M. and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2015. In silico structure-based design and synthesis of novel anti-RSV compounds. Antiviral Research 122 , pp. 46-50. 10.1016/j.antiviral.2015.08.003

Menzies, Georgina ORCID: https://orcid.org/0000-0002-6600-6507, Reed, Simon H. ORCID: https://orcid.org/0000-0002-4711-0560, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Lewis, Paul D. 2015. Base damage, local sequence context and TP53 mutation hotspots: a molecular dynamics study of benzo[a]pyrene induced DNA distortion and mutability. Nucleic Acids Research 43 (19) , pp. 9133-9146. 10.1093/nar/gkv910

La Regina, Giuseppe, Bai, Ruoli, Coluccia, Antonio, Famiglini, Valeria, Pelliccia, Sveva, Passacantilli, Sara, Mazzoccoli, Carmela, Ruggieri, Vitalba, Verrico, Annalisa, Miele, Andrea, Monti, Ludovica, Nalli, Marianna, Alfonsi, Romina, Di Marcotullio, Lucia, Gulino, Alberto, Ricci, Biancamaria, Soriani, Alessandra, Santoni, Angela, Caraglia, Michele, Porto, Stefania, Da Pozzo, Eleonora, Martini, Claudia, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Marinelli, Luciana, Novellino, Ettore, Vultaggio, Stefania, Varasi, Mario, Mercurio, Ciro, Bigogno, Chiara, Dondio, Giulio, Hamel, Ernest, Lavia, Patrizia and Silvestri, Romano 2015. New indole tubulin assembly inhibitors cause stable arrest of mitotic progression, enhanced stimulation of natural killer cell cytotoxic activity, and repression of hedgehog-dependent cancer. Journal of Medicinal Chemistry 58 (15) , pp. 5789-5807. 10.1021/acs.jmedchem.5b00310

Romagnoli, Romeo, Baraldi, Pier Giovanni, Salvador, Maria Kimatrai, Prencipe, Filippo, Lopez-Cara, Carlota, Schiaffino Ortega, Santiago, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Hamel, Ernest, Castagliuolo, Ignazio, Mitola, Stefania, Ronca, Roberto, Bortolozzi, Roberta, Porcù, Elena, Basso, Giuseppe and Viola, Giampietro 2015. Design, synthesis, in vitro, and in vivo anticancer and antiangiogenic activity of novel 3-arylaminobenzofuran derivatives targeting the colchicine site on tubulin. Journal of Medicinal Chemistry 58 (7) , pp. 3209-3222. 10.1021/acs.jmedchem.5b00155

Elseginy, Samia A., Lazaro, Glorianne, Nawwar, Galal A. M., Amin, Kamilia M., Hiscox, Stephen E. ORCID: https://orcid.org/0000-0003-0105-2702 and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2015. Computer-aided identification of novel anticancer compounds with a possible dual HER1/HER2 inhibition mechanism. Bioorganic and Medicinal Chemistry Letters 25 (4) , pp. 758-762. 10.1016/j.bmcl.2014.12.095

Reddington, Samuel C., Baldwin, Amy J. ORCID: https://orcid.org/0000-0002-2162-3771, Thompson, Rebecca, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Tippmann, Eric M. and Jones, D. Dafydd ORCID: https://orcid.org/0000-0001-7709-3995 2015. Directed evolution of GFP with non-natural amino acids identifies residues for augmenting and photoswitching fluorescence. Chemical Science 6 (2) , pp. 1159-1166. 10.1039/C4SC02827A

Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Gomaa, Mohamed S., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Zhu, Jinge, Ochalek, Justin T., DeLuca, Hector F. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2014. Novel styryl-indoles as small molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): Synthesis and biological evaluation. European Journal of Medicinal Chemistry 87 , pp. 39-51. 10.1016/j.ejmech.2014.09.035

Famiglini, Valeria, La Regina, Giuseppe, Coluccia, Antonio, Pelliccia, Sveva, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Maga, Giovanni, Crespan, Emmanuele, Badia, Roger, Riveira-Muñoz, Eva, Esté, José A., Ferretti, Rosella, Cirilli, Roberto, Zamperini, Claudio, Botta, Maurizio, Schols, Dominique, Limongelli, Vittorio, Agostino, Bruno, Novellino, Ettore and Silvestri, Romano 2014. Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of Medicinal Chemistry 57 (23) , pp. 9945-9957. 10.1021/jm5011622

Anthopoulos, Athanasios, Pasqualetto, Gaia, Grimstead, Ian and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2014. Haptic-driven, interactive drug design: implementing a GPU-based approach to evaluate the induced fit effect. Faraday Discussions 169 , pp. 323-342. 10.1039/C3FD00139C

Elseginy, Samia Ali, Massarotti, Alberto, Nawwar, Galal A. M., Amin, Kamilia M. and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2014. Small molecule inhibitors of West Nile virus. Antiviral Chemistry & Chemotherapy 23 , pp. 179-187. 10.3851/IMP2581

Scaturro, P., Trist, I. M. L., Paul, D., Kumar, A., Acosta, E. G., Byrd, C. M., Jordan, R., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Bartenschlager, R. 2014. Characterization of the mode of action of a potent dengue virus capsid inhibitor. Journal of Virology 88 (19) , pp. 11540-11555. 10.1128/JVI.01745-14

Ferla, Salvatore ORCID: https://orcid.org/0000-0002-5918-9237, Aboraia, Ahmed S., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Pepper, Christopher J., Zhu, Jinge, Ochalek, Justin T., DeLuca, Hector F. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2014. Small-molecule inhibitors of 25-Hydroxyvitamin D-24-Hydroxylase (CYP24A1): synthesis and biological evaluation. Journal of Medicinal Chemistry 57 (18) , pp. 7702-7715. 10.1021/jm5009314

Romagnoli, Romeo, Baraldi, Pier Giovanni, Lopez-Cara, Carlota, Salvador, Maria Kimatrai, Preti, Delia, Tabrizi, Mojgan Aghazadeh, Balzarini, Jan, Nussbaumer, Peter, Bassetto, Marcella, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Fu, Xian-Hua, Yang-Gao, Li, Jun, Zhang, Su-Zhan, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2014. Design, synthesis and biological evaluation of 3,5-disubstituted 2-amino thiophene derivatives as a novel class of antitumor agents. Bioorganic & Medicinal Chemistry 22 (18) , pp. 5097-5109. 10.1016/j.bmc.2013.12.030

Wang, Xiaozhao, Liu, Li, Huang, Longchuan, Herbst-Robinson, Katie, Cornec, Anne-Sophie, James, Michael J., Sugiyama, Shimpei, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Trojanowski, John Q., Lee, Virginia M.-Y., Smith, Amos B., Brunden, Kurt R. and Ballatore, Carlo 2014. Potent, long-acting cyclopentane-1,3-Dione Thromboxane (A2)-receptor antagonists. ACS Medicinal Chemistry Letters 5 (9) , pp. 1015-1020. 10.1021/ml5002085

Romagnoli, Romeo, Baraldi, Pier Giovanni, Salvador, Maria Kimatrai, Prencipe, Filippo, Bertolasi, Valerio, Cancellieri, Michela, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Hamel, Ernest, Castagliuolo, Ignazio, Consolaro, Francesca, Porcù, Elena, Basso, Giuseppe and Viola, Giampietro 2014. Synthesis, antimitotic and antivascular activity of 1-(3′,4′,5′-trimethoxybenzoyl)-3-arylamino-5-amino-1,2,4-triazoles. Journal of Medicinal Chemistry 57 (15) , pp. 6795-6808. 10.1021/jm5008193

La Regina, Giuseppe, Bai, Ruoli, Coluccia, Antonio, Famiglini, Valeria, Pelliccia, Sveva, Passacantilli, Sara, Mazzoccoli, Carmela, Ruggieri, Vitalba, Sisinni, Lorenza, Bolognesi, Alessio, Rensen, Whilelmina Maria, Miele, Andrea, Nalli, Marianna, Alfonsi, Romina, Di Marcotullio, Lucia, Gulino, Alberto, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Novellino, Ettore, Dondio, Giulio, Vultaggio, Stefania, Varasi, Mario, Mercurio, Ciro, Hamel, Ernest, Lavia, Patrizia and Silvestri, Romano 2014. New pyrrole derivatives with potent tubulin polymerization inhibiting activity as anticancer agents including hedgehog-dependent cancer. Journal of Medicinal Chemistry 57 (15) , pp. 6531-6552. 10.1021/jm500561a

Famiglini, Valeria, La Regina, Giuseppe, Coluccia, Antonio, Pelliccia, Sveva, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Maga, Giovanni, Crespan, Emmanuele, Badia, Roger, Clotet, Bonaventura, Esté, José A., Cirilli, Roberto, Novellino, Ettore and Silvestri, Romano 2014. New indolylarylsulfones as highly potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors. European Journal of Medicinal Chemistry 80 , pp. 101-111. 10.1016/j.ejmech.2014.04.027

Famiglini, Valeria, Coluccia, Antonio, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Pelliccia, Sveva, La Regina, Giuseppe and Silvestri, Romano 2013. Arylsulfone-based HIV-1 non-nucleoside reverse transcriptase inhibitors. Future Medicinal Chemistry 5 (18) , pp. 2141-2156. 10.4155/fmc.13.174

Kothayer, Hend, Elshanawani, Abdalla A., Abu Kull, Mansour E., El-Sabbagh, Osama I., Shekhar, Malathy P. V., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Jones, Arwyn Tomos ORCID: https://orcid.org/0000-0003-2781-8905 and Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 2013. Design, synthesis and in vitro anticancer evaluation of 4,6-diamino-1,3,5-triazine-2-carbohydrazides and -carboxamides. Biorganic and Medicinal Chemistry Letters 23 (24) , pp. 6886-6889. 10.1016/j.bmcl.2013.09.087

La Pietra, Valeria, La Regina, Giuseppe, Coluccia, Antonio, Famiglini, Valeria, Pelliccia, Sveva, Plotkin, Batya, Eldar-Finkelman, Hagit, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ballatore, Carlo, Crowe, Alex, Brunden, Kurt R., Marinelli, Luciana, Novellino, Ettore and Silvestri, Romano 2013. Design, synthesis, and biological evaluation of 1-Phenylpyrazolo[3,4-e]pyrrolo[3,4-g]indolizine-4,6(1H,5H)-diones as new glycogen synthase kinase-3β inhibitors. Journal of Medicinal Chemistry 56 (24) , pp. 10066-10078. 10.1021/jm401466v

Romagnoli, Romeo, Baraldi, Pier Giovanni, Lopez-Cara, Carlota, Preti, Delia, Aghazadeh Tabrizi, Mojgan, Balzarini, Jan, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Fu, Xian-Hua, Gao, Yang, Li, Jun, Zhang, Su-Zhan, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2013. Concise synthesis and biological evaluation of 2-aroyl-5-amino benzo[b]thiophene derivatives as a novel class of potent antimitotic agents. Journal of Medicinal Chemistry 56 (22) , pp. 9296-9309. 10.1021/jm4013938

Anthopoulos, Athanasios, Grimstead, Ian John and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2013. GPU-accelerated molecular mechanics computations. Journal of Computational Chemistry 34 (26) , pp. 2249-2260. 10.1002/jcc.23384

Mead, Richard J., Higginbottom, Adrian, Allen, Scott P., Kirby, Janine, Bennett, Ellen, Barber, Siân C., Heath, Paul R., Coluccia, Antonio, Patel, Neelam, Gardner, Iain, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Grierson, Andrew J. and Shaw, Pamela J. 2013. S[+] Apomorphine is a CNS penetrating activator of the Nrf2-ARE pathway with activity in mouse and patient fibroblast models of amyotrophic lateral sclerosis. Free Radical Biology and Medicine 61 , pp. 438-452. 10.1016/j.freeradbiomed.2013.04.018

Bourdin, Claire, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Chamberlain, Stanley, Vernachio, John, Hutchins, Jeff, Gorovits, Elena, Kolykhalov, Alexander, Muhammad, Jerry, Patti, Joseph, Henson, Geoffrey, Bleiman, Blair, Bryant, K. Dawn, Ganguly, Babita, Hunley, Damound, Obikhod, Aleksandr, Walters, C. Robin, Wang, Jin, Ramamurty, Changalvala V. S., Battina, Srinivas K. and Rao, C. Srinivas 2013. Synthesis and evaluation against hepatitis C virus of 7-deaza analogues of 2 '-C-methyl-6-O-methyl guanosine nucleoside and L-Alanine ester phosphoramidates. Biorganic and Medicinal Chemistry Letters 23 (7) , pp. 2260-2264.

Bourdin, Claire, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Chamberlain, Stanley, Vernachio, John, Hutchins, Jeff, Gorovits, Elena, Kolykhalov, Alexander, Muhammad, Jerry, Patti, Joseph, Henson, Geoffrey, Bleiman, Blair, Bryant, K. Dawn, Ganguly, Babita, Hunley, Damound, Obikhod, Aleksandr, Walters, C. Robin, Wang, Jin, Ramamurty, Changalvala V. S., Battina, Srinivas K. and Rao, C.Srivinas 2013. Synthesis and evaluation against Hepatitis C virus of 7-deaza analogues of 2'-C-methyl-6-O-methyl guanosine nucleoside and L-Alanine ester phosphoramidates. Biorganic & Medicinal Chemistry Letters 23 (7) , pp. 2260-2264. 10.1016/j.bmcl.2012.12.004

Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, De Burghgraeve, Tine, Delang, Leen, Massarotti, Alberto, Coluccia, Antonio, Zonta, Nicola, Gatti, Valerio, Colombano, Giampiero, Sorba, Giovanni, Silvestri, Romano, Tron, Gian Cesare, Neyts, Johan, Leyssen, Pieter and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2013. Computer-aided identification, design and synthesis of a novel series of compounds with selective antiviral activity against chikungunya virus. Antiviral Research 98 (1) , pp. 12-18. 10.1016/j.antiviral.2013.01.002

Hamdy, Rania, Ziedan, Noha, Ali, Samia, El-Sadek, Mohamed, Lashin, Elsaid, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Jones, Arwyn Tomos ORCID: https://orcid.org/0000-0003-2781-8905 and Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 2013. Synthesis and evaluation of 3-(benzylthio)-5-(1H-indol-3-yl)-1,2,4-triazol-4-amines as Bcl-2 inhibitory anticancer agents. Biorganic and Medicinal Chemistry Letters 23 (8) , pp. 2391-2394. 10.1016/j.bmcl.2013.02.029

Meneghesso, Silvia, Vanderlinden, Evelien, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Balzarini, Jan, Naesens, Lieve and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2013. Synthesis and biological evaluation of purine 2'-Fluoro-2'-deoxyriboside ProTides as anti-influenza virus agents. ChemMedChem 8 (3) , pp. 415-425. 10.1002/cmdc.201200562

Romagnoli, Romeo, Baraldi, Pier Giovanni, Kimatrai Salvador, Maria, Preti, Delia, Aghazadeh Tabrizi, Mojgan, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Hamel, Ernest, Castagliuolo, Ignazio, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2013. Synthesis and biological evaluation of 2-(alkoxycarbonyl)-3-anilinobenzo[b]thiophenes and thieno[2,3-b]pyridines as new potent anticancer agents. Journal of Medicinal Chemistry 56 (6) , pp. 2606-2618. 10.1021/jm400043d

La Regina, Giuseppe, Bai, Ruoli, Rensen, Whilelmina Maria, Di Cesare, Erica, Coluccia, Antonio, Piscitelli, Francesco, Famiglini, Valeria, Reggio, Alessia, Nalli, Marianna, Pelliccia, Sveva, Da Pozzo, Eleonora, Costa, Barbara, Granata, Ilaria, Porta, Amalia, Maresca, Bruno, Soriani, Alessandra, Iannitto, Maria Luisa, Santoni, Angela, Li, Junjie, Miranda Cona, Marlein, Chen, Feng, Ni, Yicheng, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Dondio, Giulio, Vultaggio, Stefania, Varasi, Mario, Mercurio, Ciro, Martini, Claudia, Hamel, Ernest, Lavia, Patrizia, Novellino, Ettore and Silvestri, Romano 2013. Toward highly potent cancer agents by modulating the c-2 group of the arylthioindole class of tubulin polymerization inhibitors. Journal of Medicinal Chemistry 56 (1) , pp. 123-149. 10.1021/jm3013097

Romagnoli, Romeo, Baraldi, Pier Giovanni, Salvador, Maria Kimatrai, Camacho, M. Encarnacion, Preti, Delia, Tabrizi, Mojgan Aghazadeh, Bassetto, Marcella ORCID: https://orcid.org/0000-0002-2491-5868, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2012. Synthesis and biological evaluation of 2-substituted-4-(3′,4′,5′-trimethoxyphenyl)-5-aryl thiazoles as anticancer agents. Bioorganic & Medicinal Chemistry 20 (24) , pp. 7083-7094. 10.1016/j.bmc.2012.10.001

Gomaa, Mohamed S., Lim, Andrew S. T., Lau, Sze C. W., Watts, Ann-Marie, Illingworth, N. A., Bridgens, C. E., Veal, G. J., Redfern, C. P. F., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Armstrong, J. L. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2012. Synthesis and CYP26A1 inhibitory activity of novel methyl 3-[4-(arylamino)phenyl]-3-(azole)-2,2-dimethylpropanoates. Bioorganic & Medicinal Chemistry 20 (20) , pp. 6080-6088. 10.1016/j.bmc.2012.08.044

Gomaa, Mohamed S., Bridgens, C. E., Illingworth, N. A., Veal, G. J., Redfern, C. P. F., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Armstrong, J. L. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2012. Novel retinoic acid 4-hydroxylase (CYP26) inhibitors based on a 3-(1H-imidazol- and triazol-1-yl)-2,2-dimethyl-3-(4-(phenylamino)phenyl)propyl scaffold. Bioorganic & Medicinal Chemistry 20 (14) , pp. 4201-4207. 10.1016/j.bmc.2012.05.076

La Regina, G., Coluccia, Antonio, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Piscitelli, F., Famiglini, V., Cosconati, S., Maga, G., Samuele, A., Gonzalez, E., Clotet, B., Schols, D., Este, J. A., Novellino, E. and Silvestri, R. 2012. New Nitrogen Containing Substituents at the Indole-2-carboxamide Yield High Potent and Broad Spectrum Indolylarylsulfone HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. Journal of Medicinal Chemistry 55 (14) , pp. 6634-6638. 10.1021/jm300477h

Soukupova, J., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 and Clarkson, Richard W. E. ORCID: https://orcid.org/0000-0001-7389-8673 2012. Inhibitors of Bcl-3 as a novel therapeutic strategy for HER2+ breast cancer. European Journal of Cancer 48 (5) , S225-S225.

Romagnoli, R., Baraldi, P. G., Salvador, M. K., Preti, D., Tabrizi, M. A., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Fu, X. H., Li, J., Zhang, S. Z., Hamel, E., Bortolozzi, R., Porcu, E., Basso, G. and Viola, G. 2012. Discovery and Optimization of a Series of 2-Aryl-4-Amino-5-(3′,4′,5′-trimethoxybenzoyl)Thiazoles as Novel Anticancer Agents. Journal of Medicinal Chemistry 55 (11) , pp. 5433-5445. 10.1021/jm300388h

Ricci, Antonio, Anthopoulos, Athanasios, Massarotti, A., Grimstead, Ian John and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2012. Haptic-driven applications to molecular modeling: state-of-the-art and perspectives. Future Medicinal Chemistry 4 (10) , pp. 1219-1228. 10.4155/fmc.12.60

Vassel, Nasrin, Cox, Charles D., Naseem, Riffat, Morse, Valerie, Evans, R. T., Power, Ryan L., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Wann, Kenneth Taylor and Campbell, Anthony Keith 2012. Enzymatic activity of albumin shown by coelenterazine chemiluminescence. Luminescence 27 (3) , pp. 234-241. 10.1002/bio.2357

Ricci, Antonio and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2012. Density functional theory calculation of cyclic carboxylic phosphorus mixed anhydrides as possible intermediates in biochemical reactions: Implications for the Pro-Tide approach. Journal of Computational Chemistry 33 (10) , pp. 1029-1037. 10.1002/jcc.22934

Massarotti, Alberto, Coluccia, Antonio, Silvestri, Romano, Sorba, Giovanni and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2012. The Tubulin Colchicine Domain: a molecular modeling perspective. ChemMedChem 7 (1) , pp. 33-42. 10.1002/cmdc.201100361

Romagnoli, Romeo, Baraldi, Pier Giovanni, Salvador, Maria Kimatrai, Preti, Delia, Aghazadeh Tabrizi, Mojgan, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Fu, Xian-Hua, Li, Jun, Zhang, Su-Zhan, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2012. Synthesis and Evaluation of 1,5-Disubstituted Tetrazoles as Rigid Analogues of Combretastatin A-4 with Potent Antiproliferative and Antitumor Activity. Journal of Medicinal Chemistry 55 (1) , pp. 475-488. 10.1021/jm2013979

Mart, Robert J. ORCID: https://orcid.org/0000-0003-2196-5840, Wysoczanski, Piotr, Kneissl, Sabine, Ricci, Antonio, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Allemann, Rudolf Konrad ORCID: https://orcid.org/0000-0002-1323-8830 2012. Design of photocontrolled RNA-binding peptidomimetics. ChemBioChem 13 (4) , pp. 515-519. 10.1002/cbic.201100800

Massarotti, Alberto, Coluccia, Antonio, Sorba, Giovanni, Silvestri, Romano and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2012. De novo computer-aided design of novel antiviral agents. Drug Discovery Today: Technologies 9 (3) , e213-e218. 10.1016/j.ddtec.2011.11.008

Gamble, Michael David, Kunze, Georg, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Wilson, Keith S. and Jones, Darran Dafydd ORCID: https://orcid.org/0000-0001-7709-3995 2012. The role of substrate specificity and metal binding in defining the activity and structure of an intracellular subtilisin. FEBS Open Bio 2 , pp. 209-215. 10.1016/j.fob.2012.07.001

Romagnoli, Romeo, Baraldi, Pier Giovanni, Lopez Cara, Carlota, Kimatrai Salvador, Maria, Bortolozzi, Roberta, Basso, Giuseppe, Viola, Giampietro, Balzarini, Jan, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Fu, Xian-Hua, Li, Jun, Zhang, Su-Zhan and Hamel, Ernest 2011. One-pot synthesis and biological evaluation of 2-pyrrolidinyl-4-amino-5-(3′,4′,5′-trimethoxybenzoyl)thiazole: A unique, highly active antimicrotubule agent. European Journal of Medicinal Chemistry 46 (12) , pp. 6015-6024. 10.1016/j.ejmech.2011.10.013

La Regina, Giuseppe, Bai, Ruoli, Rensen, Willeke, Coluccia, Antonio, Piscitelli, Francesco, Gatti, Valerio, Bolognesi, Alessio, Lavecchia, Antonio, Granata, Ilaria, Porta, Amalia, Maresca, Bruno, Soriani, Alessandra, Iannitto, Maria Luisa, Mariani, Marisa, Santoni, Angela, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ferlini, Cristiano, Dondio, Giulio, Varasi, Mario, Mercurio, Ciro, Hamel, Ernest, Lavia, Patrizia, Novellino, Ettore and Silvestri, Romano 2011. Design and Synthesis of 2-Heterocyclyl-3-arylthio-1H-indoles as Potent Tubulin Polymerization and Cell Growth Inhibitors with Improved Metabolic Stability. Journal of Medicinal Chemistry 54 (24) , pp. 8394-8406. 10.1021/jm2012886

Gomaa, Mohamed Sayed, Bridgens, Caroline E., Veal, Gareth J., Redfern, Christoper P.F., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Armstrong, Jane L. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2011. Synthesis and biological evaluation of 3-(1H-Imidazol- and Triazol-1-yl)-2,2-Dimethyl-3-[4-(Naphthalen-2-ylamino)phenyl]propyl derivatives as small molecule inhibitors of Retinoic Acid 4-Hydroxylase (CYP26). Journal of Medicinal Chemistry 54 (19) , pp. 6803-6811. 10.1021/jm200695m

Coluccia, Antonio, Sabbadin, Davide and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2011. Molecular modelling studies on Arylthioindoles as potent inhibitors of tubulin polymerization. European Journal of Medicinal Chemistry 46 (8) , pp. 3519-3525. 10.1016/j.ejmech.2011.05.020

van Kuppeveld, Frank, Snijder, Eric, Gorbalenya, Alexander, Canard, Bruno, Bartenschlager, Ralf, Neyts, Johan, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2011. European Training Network on (+)RNA Virus Replication and Antiviral Drug Development [Abstract]. Antiviral Research 90 (2) , A64. 10.1016/j.antiviral.2011.03.129

Gomaa, Mohamed Sayed, Bridgens, Caroline E., Aboraia, Ahmed, Veal, Gareth J., Redfern, Christopher P. F., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Armstrong, Jane L. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2011. Small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26): Synthesis and biological evaluation of imidazole methyl 3-(4-(aryl-2-ylamino)phenyl)propanoates. Journal of Medicinal Chemistry 54 (8) , pp. 2778-2791. 10.1021/jm101583w

Braun, Sebastian, Humphreys, Christine, Fraser, Elizabeth, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Bochtler, Matthias ORCID: https://orcid.org/0000-0001-7884-4463 and Dale, Trevor Clive ORCID: https://orcid.org/0000-0002-4880-9963 2011. Amyloid-Associated Nucleic Acid Hybridisation. PLoS ONE 6 (5) , e19125. 10.1371/journal.pone.0019125

Antonczak, Alicja K., Simova, Zuzana, Yonemoto, Isaac T., Bochtler, Matthias ORCID: https://orcid.org/0000-0001-7884-4463, Piasecka, Anna, Czapińska, Honorata, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Tippmann, Eric Michael 2011. Importance of single molecular determinants in the fidelity of expanded genetic codes. Proceedings of the National Academy of Sciences of the United States of America 108 (4) , pp. 1320-1325. 10.1073/pnas.1012276108

Romagnoli, Romeo, Baraldi, Pier Giovanni, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ricci, Antonio, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2011. Convergent Synthesis and Biological Evaluation of 2-Amino-4-(3′,4′,5′-trimethoxyphenyl)-5-aryl Thiazoles as Microtubule Targeting Agents. Journal of Medicinal Chemistry 54 (14) , pp. 5144-5153. 10.1021/jm200392p

La Regina, Giuseppe, Coluccia, Antonio, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Piscitelli, Francesco, Gatti, Valerio, Maga, Giovanni, Samuele, Alberta, Pannecouque, Christophe, Schols, Dominique, Balzarini, Jan, Novellino, Ettore and Silvestri, Romano 2011. Indolylarylsulfones as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors: New Cyclic Substituents at Indole-2-carboxamide. Journal of Medicinal Chemistry 54 (6) , pp. 1587-1598. 10.1021/jm101614j

Pala, Nicolino, Dallocchio, Roberto, Dessì, Alessandro, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Carta, Fabrizio, Ihm, Simone, Maresca, Alfonso, Sechi, Mario and Supuran, Claudiu T. 2011. Virtual screening-driven identification of human carbonic anhydrase inhibitors incorporating an original, new pharmacophore. Biorganic and Medicinal Chemistry Letters 21 (8) , pp. 2515-2520. 10.1016/j.bmcl.2011.02.059

Romagnoli, Romeo, Baraldi, Pier Giovanni, Cruz-Lopez, Olga, Tolomeo, Manlio, Di Cristina, Antonietta, Pipitone, Rosaria Maria, Grimaudo, Stefania, Balzarini, Jan, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Hamel, Ernest 2011. Synthesis of novel antimitotic agents based on 2-amino-3-aroyl-5-(hetero)arylethynyl thiophene derivatives. Biorganic and Medicinal Chemistry Letters 21 (9) , pp. 2746-2751. 10.1016/j.bmcl.2010.11.083

Siam, Afraa, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2011. Comparative modeling of 25-hydroxycholesterol-7α-hydroxylase (CYP7B1): ligand binding and analysis of hereditary spastic paraplegia type 5 CYP7B1 mutations. Journal of Molecular Modeling 18 (2) , pp. 441-453. 10.1007/s00894-011-1084-6

Romagnoli, Romeo, Baraldi, Pier Giovanni, Lopez-Cara, Carlota, Cruz-Lopez, Olga, Carrion, Maria Dora, Kimatrai Salvador, Maria, Bermejo, Jaime, Estévez, Sara, Estévez, Francisco, Balzarini, Jan, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Ricci, Antonio, Chen, Longchuan, Kim, Jae Gwan and Hamel, Ernest 2011. Synthesis and Antitumor Molecular Mechanism of Agents Based on Amino 2-(3′,4′,5′-Trimethoxybenzoyl)benzo[b]furan: Inhibition of Tubulin and Induction of Apoptosis. Chemmedchem 6 (10) , pp. 1841-1853. 10.1002/cmdc.201100279

Knight, James Christopher, Hallett, Andrew Jon, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Paisey, Stephen James ORCID: https://orcid.org/0000-0002-2274-3708, Clarkson, Richard W. E. ORCID: https://orcid.org/0000-0001-7389-8673 and Edwards, Peter Gerald ORCID: https://orcid.org/0000-0001-6999-753X 2011. Evaluation of a fluorescent derivative of AMD3100 and its interaction with the CXCR4 chemokine receptor. ChemBioChem 12 (17) , pp. 2692-2698. 10.1002/cbic.201100441

Aboraia, Ahmed S., Makowski, Bart, Bahja, Alba, Prosser, David, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Jones, Glenville and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2010. Synthesis and CYP24A1 inhibitory activity of (E)-2-(2-substituted benzylidene)- and 2-(2-substituted benzyl)-6-methoxy-tetralones. European Journal of Medicinal Chemistry 45 (10) , pp. 4427-4434. 10.1016/j.ejmech.2010.07.001

McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Madela, Karolina, Aljarah, Mohamed, Gilles, Arnaud, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Zonta, Nicola, Chamberlain, Stanley, Vernachio, John, Hutchins, Jeff and Hall, Andrea 2010. Design, synthesis and evaluation of a novel double pro-drug: INX-08189. A new clinical candidate for hepatitis C virus. Biorganic and Medicinal Chemistry Letters 20 (16) , pp. 4850-4854. 10.1016/j.bmcl.2010.06.094

Aboraia, Ahmed S., Yee, Sook Wah, Gomaa, Mohamed Sayed, Shah, Nikhil, Robotham, Anna C., Makowski, Bart, Prosser, David, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Jones, Glenville and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2010. Synthesis and CYP24A1 inhibitory activity of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides. Bioorganic & Medicinal Chemistry 18 (14) , pp. 4939-4946. 10.1016/j.bmc.2010.06.011

Brahemi, Ghali, Kona, Fathima R., Fiasella, Annal, Buac, Daniela, Soukupova, Jitka, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Burger, Angelika M. and Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 2010. Exploring the structural requirements for inhibition of the ubiquitin E3 ligase breast cancer associated protein 2 (BCA2) as a treatment for breast cancer. Journal of Medicinal Chemistry 53 (7) , pp. 2757-2765. 10.1021/jm901757t

Brahemi, Ghali, Burger, A. M., Westwell, Andrew ORCID: https://orcid.org/0000-0002-5166-9236 and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2010. Homology Modelling of Human E1 Ubiquitin Activating Enzyme. Letters in Drug Design & Discovery 7 (1) , pp. 57-62. 10.2174/157018010789869316

Derudas, Marco, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Naesens, L., Neyts, J., Balzarini, J. and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2010. Application of the phosphoramidate ProTide approach to the antiviral drug ribavirin. Bioorganic & Medicinal Chemistry 18 (7) , pp. 2748-2755. 10.1016/j.bmc.2010.02.015

Zonta, Nicola, Coluccia, A. and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2010. Advanced in silico approaches in antiviral research. Antiviral Chemistry and Chemotherapy 20 (4) , pp. 147-151. 10.3851/IMP1500

Derudas, Marco, Quintiliani, Maurizio, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Andrei, Graciela, Snoeck, Robert, Balzarini, Jan and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2010. Evaluation of novel phosphoramidate ProTides of the 2′-fluoro derivatives of a potent anti-varicella zoster virus bicyclic nucleoside analogue. Antiviral Chemistry and Chemotherapy 21 (1) , pp. 15-31. 10.3851/IMP1661

Romagnoli, Romeo, Baraldi, Pier Giovanni, Cruz-Lopez, Olga, Lopez Cara, Carlota, Carrion, Maria Dora, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Hamel, Ernest, Chen, Longchuan, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2010. Synthesis and Antitumor Activity of 1,5-Disubstituted 1,2,4-Triazoles as Cis-Restricted Combretastatin Analogues. Journal of Medicinal Chemistry 53 (10) , pp. 4248-4258. 10.1021/jm100245q

Romagnoli, Romeo, Baraldi, Pier Giovanni, Carrion, Maria Dora, Cruz-Lopez, Olga, Tolomeo, Manlio, Grimaudo, Stefania, Di Cristina, Antonietta, Pipitone, Maria Rosaria, Balzarini, Jan and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2010. Substituted 2-(3′,4′,5′-trimethoxybenzoyl)-benzo[b]thiophene derivatives as potent tubulin polymerization inhibitors. Bioorganic & Medicinal Chemistry 18 (14) , pp. 5114-5122. 10.1016/j.bmc.2010.05.068

La Regina, Giuseppe, Sarkar, Taradas, Bai, Ruoli., Edler, Michael C., Saletti, Roberto, Coluccia, Antonio, Piscitelli, Francesco, Minelli, Lara, Gatti, Valerio, Mazzoccoli, Carmela., Palermo, Vanessa, Mazzoni, Cristina, Falcone, Claudio, Scovassi, Anna Ivana, Giansanti, Vincenzo, Campiglia, Pietro, Porta, Amalia, Maresca, Bruno, Hamel, Ernest, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Novellino, Ettore and Silvestri, Romano 2009. New arylthioindoles and related bioisosteres at the sulfur bridging group. 4. Synthesis, tubulin polymerization, cell growth inhibition, and molecular modeling studies. Journal of Medicinal Chemistry 52 (23) , pp. 7512-7527. 10.1021/jm900016t

Derudas, Marco, Carta, Davide, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Vanpouille, Christophe, Lisco, Andrea, Margolis, Leonid, Balzarini, Jan and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2009. The application of phosphoramidate ProTide technology to acyclovir confers anti-HIV inhibition. Journal of Medicinal Chemistry 52 (17) , pp. 5520-5530. 10.1021/jm9007856

Kandil, Sahar ORCID: https://orcid.org/0000-0003-1806-9623, Biondaro, Sonia, Vlachakis, Dimitrios ORCID: https://orcid.org/0000-0003-1823-6102, Cummins, Anna-Claire, Coluccia, Antonio, Berry, Colin ORCID: https://orcid.org/0000-0002-9943-548X, Leyssen, Pieter, Neyts, Johan and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2009. Discovery of a novel HCV helicase inhibitor by a de novo drug design approach. Bioorganic & Medicinal Chemistry Letters 19 (11) , pp. 2935-2937. 10.1016/j.bmcl.2009.04.074

Derudas, Marco, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Margolis, L. and Balzarini, J. 2009. The Application of Phosphoramidate Protide Technology to Acyclovir confers Novel Anti-HIV Inhibition. Antiviral Research 82 (2) , A57. 10.1016/j.antiviral.2009.02.134

Derudas, Marco, Quintiliani, Maurizio, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Henson, G. and Balzarini, J. 2009. Design, Synthesis, and Biological Evaluation of Novel Fluoro Derivatives of BCNA. Antiviral Research 82 (2) , A57. 10.1016/j.antiviral.2009.02.135

Khedr, Mohammed Abdou and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2009. West Nile Virus Helicase: Homology Modeling and Docking Studies [Abstract]. Antiviral Research 82 (2) , A60. 10.1016/j.antiviral.2009.02.142

Zonta, Nicola, Grimstead, Ian John, Avis, Nicholas John and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2009. Accessible haptic technology for drug design applications. Journal of Molecular Modeling 15 (2) , pp. 193-196. 10.1007/s00894-008-0387-8

Pautus, S., Aboraia, A. S., Bassett, C. E., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Coogan, Michael Peter and Simons, Clare ORCID: https://orcid.org/0000-0002-9487-1100 2009. Design and synthesis of substituted imidazole and triazole N-phenylbenzo[d]oxazolamine inhibitors of retinoic acid metabolizing enzyme CYP26. Journal of Enzyme Inhibition and Medicinal Chemistry 24 (2) , pp. 487-498. 10.1080/14756360802218334

Piscitelli, F., Coluccia, A., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, La Regina, G., Sansone, A., Giordano, C., Balzarini, J., Maga, G., Zanoli, S., Samuele, A., Cirilli, R., La Torre, F., Lavecchia, A., Novellino, E. and Silvestri, R. 2009. Indolylarylsulfones Bearing Natural and Unnatural Amino Acids. Discovery of Potent Inhibitors of HIV-1 Non-Nucleoside Wild Type and Resistant Mutant Strains Reverse Transcriptase and Coxsackie B4 Virus. Journal of Medicinal Chemistry 52 (7) , pp. 1922-1934. 10.1021/jm801470b

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cara, C. L., Cruz-Lopez, O., Tolomeo, M., Grimaudo, S., Di Cristina, A., Pipitone, M. R., Balzarini, J., Zonta, Nicola, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Hamel, E. 2009. Design, synthesis and structure-activity relationship of 2-(3 ',4 ',5 '-trimethoxybenzoyl)-benzo b furan derivatives as a novel class of inhibitors of tubulin polymerization. Bioorganic & Medicinal Chemistry 17 (19) , pp. 6862-6871. 10.1016/j.bmc.2009.08.027

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cruz-Lopez, O., Cara, C. L., Basso, G., Viola, G., Khedr, Mohammed Abdou, Balzarini, J., Mahboobi, S., Sellmer, A., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Hamel, E. 2009. 2-Arylamino-4-Amino-5-Aroylthiazoles. "One-Pot" Synthesis and Biological Evaluation of a New Class of Inhibitors of Tubulin Polymerization. Journal of Medicinal Chemistry 52 (17) , pp. 5551-5555. 10.1021/jm9001692

Zonta, Nicola and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2009. Virtual Reality Applications in Antiviral Drug Design [Abstract]. Antiviral Research 82 (2) , A74. 10.1016/j.antiviral.2009.02.196

Gomaa, Mohamed Sayed, Armstrong, Jane L., Bobillon, Beatrice, Veal, Gareth J., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Redfern, Christopher P.F. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2008. Novel azolyl-(phenylmethyl)]aryl/heteroarylamines: Potent CYP26 inhibitors and enhancers of all-trans retinoic acid activity in neuroblastoma cells. Bioorganic & Medicinal Chemistry 16 (17) , pp. 8301-8313. 10.1016/j.bmc.2007.06.048

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Vlachakiis, Dimitros, Kandil, Sahar, Biondaro, Sonia, Berry, Colin ORCID: https://orcid.org/0000-0002-9943-548X and Neyts, Johan 2008. Discovery of a novel HCV helicase inhibitor by a de novo drug design approach. Antiviral Research 78 (2) , A22. 10.1016/j.antiviral.2008.01.030

Derudas, Marco, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Neyts, J. and Balzarini, J. 2008. Application of the phosphoramidate protide approach to the antiviral drug ribavirin. Antiviral Research 78 (2) , 55. 10.1016/j.antiviral.2008.01.115

Brahemi, Ghali, Fiasella, A., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Westwell, Andrew ORCID: https://orcid.org/0000-0002-5166-9236 and Burger, A. 2008. Design and synthesis of BCA2 inhibitors. EJC Supplements 6 (12) , p. 44.

Derudas, Marco, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Bugert, Joachim Jakob ORCID: https://orcid.org/0000-0002-0556-3211, Andrei, G., Snoeck, R. and Balzarini, J. 2008. Design, synthesis and biological evaluation of novel acyclovir ProTides. Antiviral Research 78 (2) , A55-A56. 10.1016/j.antiviral.2008.01.116

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cara, C. L., Cruz-Lopez, O., Preti, D., Tolomeo, M., Grimaudo, S., Di Cristina, A., Zonta, Nicola, Balzarini, J., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Sarkar, T. and Hamel, E. 2008. Design, synthesis, and biological evaluation of thiophene analogues of chalcones. Bioorganic & Medicinal Chemistry 16 (10) , pp. 5367-5376. 10.1016/j.bmc.2008.04.026

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cruz-Lopez, O., Cara, C. L., Tolomeo, M., Grimaudo, S., Di Cristina, A., Pipitone, M. R., Balzarini, J., Kandil, Sahar ORCID: https://orcid.org/0000-0003-1806-9623, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Sarkar, T. and Hamel, E. 2008. Synthesis and biological evaluation of 2-amino-3-(3 ',4 ',5 '-trimethoxybenzoyl)-6-substituted-4,5,6,7-tetrahydrothieno 2,3-c pyridi ne derivatives as antimitotic agents and inhibitors of tubulin polymerization. Bioorganic & Medicinal Chemistry Letters 18 (18) , pp. 5041-5045. 10.1016/j.bmcl.2008.08.006

Romagnoli, R., Baraldi, P. G., Sarkar, T., Carrion, M. D., Cara, C. L., Cruz-Lopez, O., Preti, D., Tabrizi, M. A., Tolomeo, M., Grimaudo, S., Di Cristina, A., Zonta, Nicola, Balzarini, J., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Hsieh, H. P. and Hamel, E. 2008. Synthesis and biological evaluation of 1-methyl-2-(3 ',4 ',5 '-trimethoxybenzoyl)-3-aminoindoles as a new class of antimitotic agents and tubulin inhibitors. Journal of Medicinal Chemistry 51 (5) , pp. 1464-1468. 10.1021/jm7011547

Romagnoli, R., Baraldi, P. G., Sarkar, T., Carrion, M. D., Cruz-Lopez, O., Cara, C. L., Tolomeo, M., Grimaudo, S., Di Cristina, A., Pipitone, M. R., Balzarini, J., Gambari, R., Ilaria, L., Saletti, R., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Hamel, E. 2008. Synthesis and biological evaluation of 2-(3 ',4 ',5 '-trimethoxybenzoyl)-3-N, N-dimethylamino benzo b furan derivatives as inhibitors of tubulin polymerization. Bioorganic & Medicinal Chemistry 16 (18) , pp. 8419-8426. 10.1016/j.bmc.2008.08.029

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Vlachaki, Chrisanthy and Vlachakis, Dimitrios 2008. Molecular modelling study of the 3D structure of the bovine viral diarrhea virus (BVDV) helicase. In silico Biology 8 (5) , pp. 461-469.

Mehellou, Youcef ORCID: https://orcid.org/0000-0001-5720-8513, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Balzarini, J. 2007. Design, synthesis, and anti-HIV activity of 2',3'-didehydro-2',3'-dideoxyuridine (d4U), 2',3'-dideoxyuridine (ddU) phosphoramidate "ProTide' derivatives. Biorganic and Medicinal Chemistry Letters 17 (13) , pp. 3666-3669. 10.1016/j.bmcl.2007.04.043

Smith, Mathew W. ORCID: https://orcid.org/0000-0002-5697-0204, Smith, J., Harris, C., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Allender, Christopher John and Gumbleton, Mark ORCID: https://orcid.org/0000-0002-7386-311X 2007. Phage display identification of functional binding peptides against 4-acetamidophenol (Paracetamol): An exemplified approach to target low molecular weight organic molecules. Biochemical and Biophysical Research Communications 358 (1) , pp. 285-291. 10.1016/j.bbrc.2007.04.122

Congiatu, C., McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2007. HINT as putative phosphoramidase responsible of pro-tides activation: Molecular modelling studies [Abstract]. Antiviral Research 74 (3) , A71. 10.1016/j.antiviral.2007.01.115

Gomaa, Mohamed Sayed, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2007. Homology model of 1α,25-dihydroxyvitamin D3 24-hydroxylase cytochrome P450 24A1 (CYP24A1): Active site architecture and ligand binding. The Journal of Steroid Biochemistry and Molecular Biology 104 (1-2) , pp. 53-60. 10.1016/j.jsbmb.2006.09.041

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Silvestri, R. 2007. Indole, a core nucleus for potent inhibitors of tubulin polymerization. Medicinal Research Reviews 27 (2) , pp. 209-238. 10.1002/med.20080

Congiatu, C., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2007. Molecular modelling studies on the binding of some protides to the putative human phosphoramidase Hint1. Nucleosides, Nucleotides & Nucleic Acids 26 (8 & 9) , pp. 1121-1124. 10.1080/15257770701521656

La Regina, G., Edler, M. C., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Kandil, Sahar ORCID: https://orcid.org/0000-0003-1806-9623, Coluccia, A., Piscitelli, F., Hamel, E., De Martino, G., Matesanz, R., Diaz, J. F., Scovassi, A. I., Prosperi, E., Lavecchia, A., Novellino, E., Artico, M. and Silvestri, R. 2007. Arylthioindole inhibitors of tubulin polymerization. 3. Biological evaluation, structure-activity relationships and molecular modeling studies. Journal of Medicinal Chemistry 50 (12) , pp. 2865-2874. 10.1021/jm061479u

Mantzourani, Efthymia D. ORCID: https://orcid.org/0000-0002-6313-1409, Platts, James Alexis ORCID: https://orcid.org/0000-0002-1008-6595, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Mavromoustakos, Thomas M. and Tselios, Theodore V. 2007. Molecular dynamics at the receptor level of immunodominant myelin basic protein epitope 87-99 implicated in multiple sclerosis and its antagonists altered peptide ligands: Triggering of immune response. Journal of Molecular Graphics and Modelling 26 (2) , pp. 471-481. 10.1016/j.jmgm.2007.02.004

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cara, C. L., Preti, D., Fruttarolo, F., Pavani, M. G., Tabrizi, M. A., Tolomeo, M., Grimaudo, S., Di Cristina, A., Balzarini, J., Hadfield, J. A., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Hamel, E. 2007. Synthesis and biological evaluation of 2-and 3-aminobenzo b thiophene derivatives as antimitotic agents and inhibitors of tubulin polymerization. Journal of Medicinal Chemistry 50 (9) , pp. 2273-2277. 10.1021/jm070050f

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Grdadolnik, SG, Mantzourani, ED and Tselios, TV 2006. Comparison of proposed putative active conformations of myelin basic protein epitope 87-99 linear altered peptide ligands by spectroscopic and modelling studies: The role of positions 91 and 96 in T-cell receptor activation. Journal of Medicinal Chemistry 49 (23) , pp. 6683-6691. 10.1021/jm060040z

Mantzourani, Efthymia D. ORCID: https://orcid.org/0000-0002-6313-1409, Tselios, T. V., Grdadolnik, S. Golič, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Platts, James Alexis ORCID: https://orcid.org/0000-0002-1008-6595, Matsoukas, J. M. and Mavromoustakos, T. M. 2006. A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg91, Ala96] MBP87–99. Journal of Molecular Graphics and Modelling 25 (1) , pp. 17-29. 10.1016/j.jmgm.2005.09.010

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Landowski, Christopher P., Lorenzi, Philip L., Song, Xuequin, Townsend, Leroy B., Drach, John C. and Amidon, Gordon L. 2006. N-methylpurine DNA glycosylase and 8-oxoguanine DNA glycosylase metabolize the antiviral nucleoside 2-bromo-5,6-dichloro-1-(β-D-ribofuranosyl)benzimidazole. Drug Metabolism and Disposition 34 (6) , pp. 1070-1077. 10.1124/dmd.105.009209

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, De Martino, Gabriella, Edler, Michael C., La Regina, Guiseppe, Coluccio, Antonio, Barbera, Maria Chiara, Barrow, Denise, Nicholson, Robert I., Chiosis, Gabriela, Hamel, Ernst, Artico, Marino and Silvestri, Romano 2006. New arylthioindoles, potent inhibitors of tubulin polymerization. 2. Structure activity relationships and molecular modeling studies. Journal of Medicinal Chemistry 49 (3) , pp. 947-954. 10.1021/jm050809s

Gomaa, Mohamed Sayed, Yee, Sook Wah, Milbourne, Ceri Elizabeth, Barbera, Maria Chiara, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 2006. Homology Model of Human Retinoic Acid Metabolising Enzyme Cytochrome P450 26A1 (CYP26A1): Active Site Architecture and Ligand Binding. Journal of Enzyme Inhibition and Medicinal Chemistry 21 (4) , pp. 361-369. 10.1080/14756360600742014

Congiatu, Costantino, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Mason, Malcolm David ORCID: https://orcid.org/0000-0003-1505-2869, Jiang, Wen Guo ORCID: https://orcid.org/0000-0002-3283-1111 and McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 2006. Novel potential anticancer naphthyl phosphoramidates of BVdU: Separation of diastereoisomers and assignment of the absolute cConfiguration of the phosphorus center. Journal of Medicinal Chemistry 49 (2) , pp. 452-455. 10.1021/jm0509896

De Clercq, Erik, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Hodge, Anthony Vere and Field, Hugh 2006. Antiviral Chemistry & Chemotherapy's current antiviral agents FactFile 2006 (1st edition):the RNA viruses with DNA intermediates (retroviruses). Antiviral chemistry & chemotherapy 17 (3) , pp. 137-166.

Mantzourani, Efthymia D. ORCID: https://orcid.org/0000-0002-6313-1409, Tselios, Theodore V., Grdadolnik, Simona Golic, Platts, James Alexis ORCID: https://orcid.org/0000-0002-1008-6595, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Deraos, George N., Matsoukas, John M. and Mavromoustakos, Thomas M. 2006. Comparison of Proposed Putative Active Conformations of Myelin Basic Protein Epitope 87−99 Linear Altered Peptide Ligands by Spectroscopic and Modelling Studies:  The Role of Positions 91 and 96 in T-Cell Receptor Activation. Journal of Medicinal Chemistry 49 (23) , pp. 6683-6691. 10.1021/jm060040z

Yee, Sook Wah, Jarno, Laetitia, Gomaa, Mohamed Sayed, Elford, Carole, Ooi, Liling, Coogan, Michael Peter, McClelland, Richard Andrew, Nicholson, Robert Ian, Evans, Bronwen Alice James ORCID: https://orcid.org/0000-0002-3082-1008, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419 and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2005. Novel tetralone-derived retinoic acid metabolism blocking agents: synthesis and in vitro evaluation with liver microsomal and MCF-7 CYP26A1 cell assays. Journal of Medicinal Chemistry 48 (23) , pp. 7123-7131. 10.1021/jm0501681

De Martino, Gabriella, La Regina, Giuseppe, Coluccia, Antonio, Edler, Michael C., Barbera, Maria Chiara, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Wilcox, Elizabeth, Hamel, Ernest, Artico, Marino and Silvestri, Romano 2004. Arylthioindoles, potent inhibitors of tubulin polymerization. Journal of Medicinal Chemistry 47 (25) , pp. 6120-6123. 10.1021/jm049360d

Sienaert, R., Naesens, L., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Carangio, A., Andrei, G., Snoeck, R., Van Kuilenburg, A., De Clercq, E., McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X and Balzarini, J. 2003. Metabolic and Pharmacological Characteristics of the Bicyclic Nucleoside Analogues (BCNAs) as Highly Selective Inhibitors of Varicella-Zoster Virus (VZV). Nucleosides, Nucleotides & Nucleic Acids 22 (5-8) , pp. 995-997. 10.1081/NCN-120022721

McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 2003. Novel bicyclic furanopyrimidines with dual anti-VZV and -HCMV activity. Bioorganic & Medicinal Chemistry Letters 13 (24) , pp. 4511-4513. 10.1016/j.bmcl.2003.08.028

Sienaert, R., Naesens, L., Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, De Clercq, E., McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X and Balzarini, J. 2002. Specific Recognition of the Bicyclic Pyrimidine Nucleoside Analogs, a New Class of Highly Potent and Selective Inhibitors of Varicella-Zoster Virus (VZV), by the VZV-Encoded Thymidine Kinase. Molecular Pharmacology 61 (2) , pp. 249-254. 10.1124/mol.61.2.249

McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Barucki, H., Srinivasan, S, Jones, G., Pathirana, Ranjith N., Carangio, A., Blewett, S., Luoni, G., Bidet, O., Jukes, A., Jarvis, C., Andrei, G., Snoeck, R., De Clercq, E. and Balzarini, J. 2001. Furano pyrimidines as novel potent and selective anti-VZV agents. Antiviral chemistry & chemotherapy 12 (2) , pp. 77-89.

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Algain, Berthe, Savy, Pascal, Benhida, Rachid, Fourrey, Jean-Louis, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 2001. Bicyclic anti-VZV nucleosides: Thieno analogues retain full antiviral activity. Biorganic and Medicinal Chemistry Letters 11 (18) , pp. 2507-2510. 10.1016/S0960-894X(01)00471-1

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Andrei, G., Snoeck, R., De Clercq, E. and Balzarini, J. 2000. Bicyclic nucleoside inhibitors of Varicella-Zoster Virus (VZV): the effect of a terminal halogen substitution in the side-chain. Bioorganic & Medicinal Chemistry Letters 10 (11) , pp. 1215-1217. 10.1016/S0960-894X(00)00193-1

Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Srinivasan, Subashini, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 2000. Synthesis and anti-varicella-zoster virus activity of some novel bicyclic nucleoside inhibitors: effect of enhanced aqueous solubility. Antiviral Chemistry & Chemotherapy 11 (6) , pp. 383-393.

McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Barucki, Hubert, Srinivasan, Subashini, Jones, Garry, Pathirana, Ranjith, Blewett, Sally, Alvarez, Raquel, Yarnold, Christopher J., Carangio, Antonella, Velazquez, Sonsoles, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 2000. Fluorescent bicyclic furo pyrimidine deoxynucleoside analogs as potent and selective inhibitors of VZV and potential future drugs for the treatment of chickenpox and shingles. Drugs of the Future 25 (11) , pp. 1151-1161.

McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, Yarnold, Christopher J., Jones, Garry, Velázquez, Sonsoles, Barucki, Hubert, Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 1999. Potent and selective inhibition of varicella-zoster virus (VZV) by nucleoside analogues with an unusual bicyclic base. Journal of Medicinal Chemistry 42 (22) , pp. 4479-4484. 10.1021/jm990346o