Browse by All Cardiff Authors

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.

, Brancale, Andrea

, 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

Brancale, Andrea

, 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

, Rodrigues, Neil P.

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

, Ferla, Salvatore

, 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

, 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

, Toner, Shay A., Ballatore, Carlo, Brancale, Andrea

, 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

, 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

, Forde-Thomas, Josephine, Whiteland, Helen, Bassetto, Marcella

, Ferla, Salvatore, Johnson, George, Jones, Arwyn T.

, Caffrey, Conor R., Chalmers, Iain, Brancale, Andrea

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

, Varricchio, Carmine

, Rozanowska, Malgorzata

, Brancale, Andrea

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

, Perricone, Ugo and Brancale, Andrea

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

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

, 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

, Prior, Ian A., Brancale, Andrea

, Reed, Simon H.

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

, Varricchio, Carmine

, 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

, Rocha-Pereira, Joana and Bassetto, Marcella

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

, 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

, Paniak, Thomas J., Kozlowski, Marisa C., Brancale, Andrea

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

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.

, Yang, William W., Seaton, Gillian, Gruca, Aleksandra, French, Rhiannon, Lee, Kok Yung, Varnava, Athina, Piggott, Luke, Clarkson, Richard W. E.

and Brancale, Andrea

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

, Brancale, Andrea

, Welzel, Petra B., Huttner, Wieland B., Werner, Carsten, Newland, Ben

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

, 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

, Mitchell, Paige, Compton, Nina, Richards, Chloe, Heurich, Meike

, Brancale, Andrea

, Ferla, Salvatore

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

, 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

, 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

, Brancale, Andrea

, Rozanowska, Malgorzata

and Votruba, Marcela

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

, Kemp, Paul J.

, Young, Mark T.

and van der Goes van Naters, Wynand

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

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

, 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

, 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

, Beirne, Kathy, Aeschlimann, Pascale, Heard, Charles

, Rozanowska, Malgorzata

, Votruba, Marcela

and Brancale, Andrea

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

, Aouadi, Wahiba, Martin, Baptiste, Selisko, Barbara, Falat, Arissa, Coutard, Bruno, Brancale, Andrea

, 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

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

, Bassetto, Marcella, Neyts, Johan, Strating, Jeroen R. P. M., Westerink, Remco H. S., Brancale, Andrea

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

, Varricchio, Carmine

, Pileggi, Elisa, Khogali, Caroline, Morgan, Siân R., Boostrom, Ian, Rozanowska, Malgorzata

, Brancale, Andrea

, Ferla, Salvatore

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.

, Brancale, Andrea

, Stockinger, Brigitta and Morgan, B. Paul

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

2020. Novel nucleoside analogues as affective antiviral agents for Zika virus infections. Molecules 25 (20) , 4813. 10.3390/molecules25204813

Newland, Ben

, Varricchio, Carmine

, Körner, Yvonne, Hoppe, Franziska, Taplan, Christian, Newland, Heike

, Eigel, Dimitri, Tornillo, Giusy, Pette, Dagmar, Brancale, Andrea

, 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

, Ferla, Salvatore

, 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

, Strating, Jeroen R. P. M., Coutard, Bruno, Hurdiss, Daniel L., van Kuppeveld, Frank J. M. and Brancale, Andrea

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

, Varricchio, Carmine

, Brancale, Andrea

, 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.

, Beirne, K., Heard, C.

, Newland, B.

, Rozanowska, M.

, Brancale, A.

and Votruba, M.

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

2020. Antivirals in medical biodefense. Virus Genes 56 (2) , pp. 150-167. 10.1007/s11262-020-01737-5

Ferla, Salvatore

, Manganaro, Roberto, Benato, Sara, Paulissen, Jasmine, Neyts, Johan, Jochmans, Dirk, Brancale, Andrea

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.

, Boostrom, Hannah M.

, Morgan, Siân R., Fallon, Melissa

, Lewis, Philip N.

, Whitaker, David

, Brancale, Andrea

, Varricchio, Carmine

, Quantock, Andrew J.

, Burton, Matthew J. and Heard, Charles M.

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

, Ferla, Salvatore

, 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

, Kovacikova, Kristina, Smit, Jolanda M., Brancale, Andrea

, 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.

, Neyts, Johan, Rocha-Pereira, Joana, Brancale, Andrea

, Ferla, Salvatore

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

, Brancale, Andrea

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

, Ferla, Salvatore

, Bassetto, Marcella

, Brancale, Andrea

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

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

, Heard, Charles

, Young, Mark Thomas

, Rozanowska, Malgorzata B.

, Brancale, Andrea

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

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

, Brancale, Andrea

, 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

, Brancale, Andrea

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

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

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

, Ferla, Salvatore

, 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.

, Jiang, Wen

, Brancale, Andrea

, Cai, Jun and Westwell, Andrew D.

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

, Brancale, Andrea

, 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

, Head, Sarah A., Bhat, Shridhar, Pasunooti, Kalyan K., Shi, Wei Q., Albulescu, Lucian, Liu, Jun O., Brancale, Andrea

, 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

, Ferla, Salvatore

, 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

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

, Netzler, Natalie E., Ferla, Sebastiano

, Veronese, Sofia, Tuipulotu, Daniel Enosi, Guccione, Salvatore, Brancale, Andrea

, White, Peter A. and Bassetto, Marcella

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

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

and Young, Mark T.

2018. The molecular determinants of small-molecule ligand binding at P2X receptors. Frontiers in Pharmacology 9 , 58. 10.3389/fphar.2018.00058

Slusarczyk, Magdalena

, Ferla, Salvatore

, Brancale, Andrea

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.

, Desideri, M., Buglioni, S., Trisciuoglio, D., Del Bufalo, D., Brancale, A.

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

, Ferla, Salvatore

, 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

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, Milne, Ginger L., Poole, Alastair W., Thomas, Christopher P.

, Obaji, Samya, Taylor, Philip R., Jones, Simon A.

, deGroot, Philip G., Urbanus, Rolf T., Horkko, Sohvi, Uderhardt, Stefan, Ackermann, Jochen, Jenkins, P. Vince, Brancale, Andrea

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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

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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

, 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

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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

, 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

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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

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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

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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

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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

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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

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, Leyssen, Pieter, Neyts, Johan, Yerukhimovich, Mark M., Frick, David N., Courtney-Smith, Matthew and Brancale, Andrea

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

, Ferla, Salvatore

, 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

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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

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2016. Structural biology in antiviral drug discovery. Current Opinion in Pharmacology 30 , pp. 116-130. 10.1016/j.coph.2016.08.014

Papale, Alessandro

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, Spanagel, Rainer, Brambilla, Riccardo

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2016. Impairment of cocaine-mediated behaviours in mice by clinically relevant Ras-ERK inhibitors. eLife 5 , e17111. 10.7554/eLife.17111

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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

, Bassetto, Marcella

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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

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, Leyssen, Pieter, Neyts, Johan, Yerukhimovich, Mark M., Frick, David N. and Brancale, Andrea

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

, Brancale, Andrea

, 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

, 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

, Brancale, Andrea

, 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

, 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

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

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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

, 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

, 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.

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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.

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, Tippmann, Eric M. and Jones, D. Dafydd

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

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, Zhu, Jinge, Ochalek, Justin T., DeLuca, Hector F. and Simons, Claire

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

, 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

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

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

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

, Aboraia, Ahmed S., Brancale, Andrea

, Pepper, Christopher J., Zhu, Jinge, Ochalek, Justin T., DeLuca, Hector F. and Simons, Claire

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

, 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

, Brancale, Andrea

, 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

, 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

, 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

, 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

, 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

, Jones, Arwyn Tomos

and Westwell, Andrew D.

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

, 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

, Brancale, Andrea

, 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

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

, 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

, Brancale, Andrea

, 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

, Brancale, Andrea

, 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

, 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

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

, Jones, Arwyn Tomos

and Westwell, Andrew D.

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

, Balzarini, Jan, Naesens, Lieve and McGuigan, Christopher

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

, Brancale, Andrea

, 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

, 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

, Brancale, Andrea

, 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

, Armstrong, J. L. and Simons, Claire

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

, Armstrong, J. L. and Simons, Claire

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

, 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

and Clarkson, Richard W. E.

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

, 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

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

, 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

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

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

, 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.

, Wysoczanski, Piotr, Kneissl, Sabine, Ricci, Antonio, Brancale, Andrea

and Allemann, Rudolf Konrad

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

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

, Wilson, Keith S. and Jones, Darran Dafydd

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

, 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

, 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

, Armstrong, Jane L. and Simons, Claire

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

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

and McGuigan, Christopher

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

, Armstrong, Jane L. and Simons, Claire

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

, Bochtler, Matthias

and Dale, Trevor Clive

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

, Piasecka, Anna, Czapińska, Honorata, Brancale, Andrea

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

, 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

, 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

, 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

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

and Simons, Claire

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

, 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

, Paisey, Stephen James

, Clarkson, Richard W. E.

and Edwards, Peter Gerald

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

, Jones, Glenville and Simons, Claire

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

, Madela, Karolina, Aljarah, Mohamed, Gilles, Arnaud, Brancale, Andrea

, 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

, Jones, Glenville and Simons, Claire

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

, Burger, Angelika M. and Westwell, Andrew D.

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

and Brancale, Andrea

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

, Naesens, L., Neyts, J., Balzarini, J. and McGuigan, Christopher

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

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

, Andrei, Graciela, Snoeck, Robert, Balzarini, Jan and McGuigan, Christopher

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

, 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

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

, 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

, Vanpouille, Christophe, Lisco, Andrea, Margolis, Leonid, Balzarini, Jan and McGuigan, Christopher

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

, Biondaro, Sonia, Vlachakis, Dimitrios

, Cummins, Anna-Claire, Coluccia, Antonio, Berry, Colin

, Leyssen, Pieter, Neyts, Johan and Brancale, Andrea

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

, Brancale, Andrea

, 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

, Brancale, Andrea

, 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

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

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

, Coogan, Michael Peter and Simons, Clare

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

, 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

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

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

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

, Redfern, Christopher P.F. and Simons, Claire

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

, Vlachakiis, Dimitros, Kandil, Sahar, Biondaro, Sonia, Berry, Colin

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

, Brancale, Andrea

, 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

, Westwell, Andrew

and Burger, A. 2008. Design and synthesis of BCA2 inhibitors. EJC Supplements 6 (12) , p. 44.

Derudas, Marco, McGuigan, Christopher

, Brancale, Andrea

, Bugert, Joachim Jakob

, 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

, 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

, Brancale, Andrea

, 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

, 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

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

, 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

, McGuigan, Christopher

, Brancale, Andrea

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

Congiatu, C., McGuigan, Christopher

and Brancale, Andrea

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

and Brancale, Andrea

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

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

and McGuigan, Christopher

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