Browse by Current Cardiff authors

Ali, Basma S., Mohammed, Anber F., Menon, Varsha, Ramadan, Wafaa S., Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, El-Awady, Raafat and Abdu-Allah, Hajjaj H.M. 2025. Further insights into the multitarget anticancer activity of tetrahydrocarbazole-1-amine/5-arylidene-4-thiazolinone based hybrids. Bioorganic Chemistry 164 , 108853. 10.1016/j.bioorg.2025.108853 Item availability restricted.

Alsulaimany, Marwa, Keniya, Mikhail V., Alanazi, Rehab S., Ruma, Yasmeen N., Hughes, Carwyn S., Jones, Arwyn T. ORCID: https://orcid.org/0000-0003-2781-8905, Tyndall, Joel D. A., Parker, Josie E., Monk, Brian C. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2025. Exploring long arm amide-linked side chains in the design of antifungal azole inhibitors of sterol 14α-demethylase (CYP51). Journal of Medicinal Chemistry 10.1021/acs.jmedchem.4c02922

Alsulaimany, Marwa, Binjubair, Faizah A., Tatar, Esra, Kelly, Diane E, Kelly, Steven, Warrilow, Andrew G, Keniya, Mikhail V., Monk, Brian C., Parker, Josie E. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2025. Exploring medium and long arm extensions of 1,2,4-triazole derivatives as Candida albicans 14α-demethylase (CYP51) inhibitors. RSC Medicinal Chemistry 16 (5) , pp. 2270-2280. 10.1039/D4MD00863D

Eissa, Ahmed G., Gozzi, Francesca, Aloqab, Oqab Mohammed M, Parrish, Charlotte E., Mohamed, Nadira, Shiali, Irene, Al-Baldawi, Harith, Foster, Paul A. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2025. Development of benzofuran-derived sulfamates as dual aromatase-steroid sulfatase inhibitors (DASIs): design, synthesis and biological evaluation. RSC Medicinal Chemistry 16 (4) , pp. 1606-1618. 10.1039/d4md00795f

Abdallah, Nehad A., Al-Haidari, Rwaida A., Alsulaimany, Marwa and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2024. Utilization of azamacrocyclic ionophores as recognition elements for the potentiometric determination of gallic acid in various matrices. Microchemical Journal 207 , 111804. 10.1016/j.microc.2024.111804

Elbaramawi, Samar S., Eissa, Ahmed G., Noureldin, Nada A. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2023. Exploring Proteus mirabilis methionine tRNA synthetase active site: homology model construction, molecular dynamics, pharmacophore and docking validation. Pharmaceuticals 16 (9) , 1263. 10.3390/ph16091263

Zawal, Amira G., Abdel-Aziz, Marwa M., El?Shanawani, Abdalla A., Abdel-Aziz, Lobna M., Taha, Mohamed, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Elbaramawi, Samar S. 2023. Targeting Mycobacterium tuberculosis: synthesis, in vitro and in silico evaluation of novel N1-(benzo[d]oxazol-2-yl)-N4-arylidine compounds. Archiv der Pharmazie 356 (8) , 2300187. 10.1002/ardp.202300187

Eissa, Ahmed G., Powell, Lauren E., Gee, Julia ORCID: https://orcid.org/0000-0001-6483-2015, Foster, Paul A. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2023. Pyridine based dual binding site aromatase (CYP19A1) inhibitors. RSC Medicinal Chemistry 14 (2) , pp. 356-366. 10.1039/d2md00352j

Alshabani, Lama A., Kumar, Amit, Willcocks, Sam J., Srithiran, Gayathri, Bhakta, Sanjib, Estrada, D. Fernando and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2022. Synthesis, biological evaluation and computational studies of pyrazole derivatives as Mycobacterium tuberculosis CYP121A1 inhibitors. RSC Medicinal Chemistry 13 (11) , pp. 1350-1360. 10.1039/D2MD00155A

Eissa, Ahmed G., Barrow, Denise, Gee, Julia ORCID: https://orcid.org/0000-0001-6483-2015, Powell, Lauren E., Foster, Paul A. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2022. 4th generation nonsteroidal aromatase inhibitors: An iterative SAR-guided design, synthesis, and biological evaluation towards picomolar dual binding inhibitors. European Journal of Medicinal Chemistry 240 , 114569. 10.1016/j.ejmech.2022.114569

Noureldin, Nada A., Richards, Jennifer, Kothayer, Hend, Baraka, Mohammed M., Eladl, Sobhy M., Wootton, Mandy and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2022. Phenylalanyl tRNA synthetase (PheRS) substrate mimics: design, synthesis, molecular dynamics and antimicrobial evaluation. RSC Advances 12 (4) , pp. 2511-2524. 10.1039/D1RA06439H

Abdel-Hafez, Gehan A., Mohamed, Abdel-Maaboud I., Youssef, Adel F., Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Aboraia, Ahmed S. 2022. Synthesis, computational study and biological evaluation of 9-acridinyl and 1-coumarinyl-1,2,3-triazole-4-yl derivatives as topoisomerase II inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 37 (1) , pp. 502-513. 10.1080/14756366.2021.2021898

Noureldin, Nada A., Richards, Jennifer, Kothayer, Hend, Baraka, Mohammed M., Eladl, Sobhy M., Wootton, Mandy and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2021. Design, computational studies, synthesis and in vitro antimicrobial evaluation of benzimidazole based thio-oxadiazole and thio-thiadiazole analogues. BMC Chemistry 15 (1) , 58. 10.1186/s13065-021-00785-8

Kumar, Amit, Campomizzi, Christopher S., Jay, Natalie, Ferguson, Shaun, Scheffler, Emelie-Jo, Lioi, James, Tu, Chengjian, Qu, Jun, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Estrada, D. Fernando 2021. Surface hydrophobics mediate functional dimerization of CYP121A1 of Mycobacterium tuberculosis. Scientific Reports 11 (1) , 394. 10.1038/s41598-020-79545-y

Kishk, Safaa M., Kishk, Rania M., Yassen, Asmaa S. A., Nafie, Mohamed S., Nemr, Nader A., ElMasry, Gamal, Al-Rejaie, Salim and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2020. Molecular insights into human transmembrane protease serine-2 (TMPS2) inhibitors against SARS-CoV2: homology modelling, molecular dynamics, and docking studies. Molecules 25 (21) , 5007. 10.3390/molecules25215007

Lebouvier, Nicolas, Pagniez, Fabrice, Na, Young Min, Shi, Da, Pinson, Patricia, Marchivie, Mathieu, Guillon, Jean, Hakki, Tarek, Bernhardt, Rita, Yee, Sook Wah, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100, Lézé, Marie-Pierre, Hartmann, Rolf W., Mularoni, Angélique, Le Baut, Guillaume, Krimm, Isabelle, Abagyan, Ruben, Le Pape, Patrice and Le Borgne, Marc 2020. Synthesis, optimization, antifungal activity, selectivity, and CYP51 binding of new 2-Aryl-3-azolyl-1-indolyl-propan-2-ols. Pharmaceuticals 13 (8) , 186. 10.3390/ph13080186

Binjubair, Faizah A., Parker, Josie E., Warrilow, Andrew G., Puri, Kalika, Braidley, Peter J., Tatar, Esra, Kelly, Steven L., Kelly, Diane E. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2020. Small‐molecule inhibitors targeting sterol 14α‐Demethylase (CYP51): synthesis, molecular modelling and evaluation against Candida albicans. ChemMedChem 15 (14) , pp. 1294-1309. 10.1002/cmdc.202000250

Bilip, Maja, Shah, Shreya, Mathiyalakan, Mayuran, Tagalakis, Aristides, Hart, Stephen L., Maeshima, Ruhina, Eaton, Simon, Orford, Michael, Irving, Elsa, Di Florio, Alessia, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Stoker, Andrew W 2020. Liposomal delivery of hydrophobic RAMBAs provides good bioavailability and significant enhancement of retinoic acid signalling in neuroblastoma tumour cells. Journal of Drug Targeting 28 (6) , pp. 643-654. 10.1080/1061186X.2019.1710157

Kishk, Safaa M., McLean, Kirsty J., Sood, Sakshi, Smith, Darren, Evans, Jack W.D., Helal, Mohamed A., Gomaa, Mohamed S., Salama, Ismail, Mostafa, Samia M., de Carvalho, Luiz Pedro S., Levy, Colin W., Munro, Andrew W. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2019. Design and synthesis of imidazole and triazole pyrazoles as mycobacterium tuberculosis CYP121A1 inhibitors. ChemistryOpen 8 (7) , pp. 995-1011. 10.1002/open.201900227

Kishk, Safaa M., McLean, Kirsty J., Sood, Sakshi, Helal, Mohamed A., Gomaa, Mohamed S., Salama, Ismail, Mostafa, Samia M., de Carvalho, Luiz Pedro S., Munro, Andrew W. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2019. Synthesis and biological evaluation of novel cYY analogues targeting Mycobacterium tuberculosis CYP121A1. Bioorganic and Medicinal Chemistry 27 (8) , -. 10.1016/j.bmc.2019.02.051

Mohammed, Anber F., Andrei, Graciela, Hayallah, Alaa M., Abdel-Moty, Samia G., Snoeck, Robert and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2019. Synthesis and anti-HSV activity of tricyclic penciclovir and hydroxybutylguanine derivatives. Bioorganic & Medicinal Chemistry 27 (6) , pp. 1023-1033. 10.1016/j.bmc.2019.02.005

Elbaramawi, Samar, Hughes, Casey, Richards, Jennifer, Gupta, Arya, Ibrahim, Samy, Lashine, El-Sayed, El-Sadek, Mohamed, O'Neill, Alex, Wooten, Mandy, Bullard, James and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2018. Design, synthesis and microbiological evaluation of novel compounds as potential Staphylococcus aureus phenylalanine tRNA synthetase inhibitors. Egyptian Journal of Chemistry 61 , pp. 9-25. 10.21608/ejchem.2018.4070.1357

Abd El-wahab, Hend A.A., Accietto, Mauro, Marino, Leonardo B., McLean, Kirsty J., Levy, Colin W., Abdel-Rahman, Hamdy M., El-Gendy, Mahmoud A., Munro, Andrew W., Aboraia, Ahmed S. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2018. Design, synthesis and evaluation against Mycobacterium tuberculosis of azole piperazine derivatives as dicyclotyrosine (cYY) mimics. Bioorganic & Medicinal Chemistry 26 (1) , pp. 161-176. 10.1016/j.bmc.2017.11.030

Taban, Ismail, Elshihawy, Hosam A. E., Torun, Beyza, Zucchini, Benedetta, Williamson, Clare J., Altuwairigi, Dania, Ngu, Adeline S. T., McLean, Kirsty J., Levy, Colin W., Sood, Sakshi, Marino, Leonardo B., Munro, Andrew W., de Carvalho, Luiz Pedro S. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2017. Novel aryl substituted pyrazoles as small molecule inhibitors of cytochrome P450 CYP121A1: Synthesis and antimycobacterial evaluation. Journal of Medicinal Chemistry 60 (24) , pp. 10257-10267. 10.1021/acs.jmedchem.7b01562

Taban, Ismail M., Zhu, Jing, DeLuca, Hector F. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2017. Analysis of the binding sites of vitamin D 1α-hydroxylase (CYP27B1) and vitamin D 24-hydroxylase (CYP24A1) for the design of selective CYP24A1 inhibitors: homology modelling, molecular dynamics simulations and identification of key binding requirements. Bioorganic & Medicinal Chemistry 25 (20) , pp. 5629-5636. 10.1016/j.bmc.2017.08.036

Taban, Ismail M., Zhu, Jinge, DeLuca, Hector F. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2017. Synthesis, molecular modelling and CYP24A1 inhibitory activity of novel of (E)-N-(2-(1H-imidazol-1-yl)-2-(phenylethyl)-3/4-styrylbenzamides. Bioorganic and Medicinal Chemistry 25 (15) , pp. 4076-4087. 10.1016/j.bmc.2017.05.055

Elbaramawi, Samar S., Ibrahim, Samy M., Lashine, El-Sayed M., El-Sadek, Mohamed E., Mantzourani, Efi ORCID: https://orcid.org/0000-0002-6313-1409 and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2017. Exploring the binding sites of Staphylococcus aureus phenylalanine tRNA synthetase: A homology model approach. Journal of Molecular Graphics and Modelling 73 , pp. 36-47. 10.1016/j.jmgm.2017.02.002

Stoney, Patrick N., Fragoso, Yara D., Saeed, Reem Bu, Ashton, Anna, Goodman, Timothy, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100, Gomaa, Mohamed, Sementilli, Angelo, Sementilli, Leonardo, Ross, Alexander W., Morgan, Peter J. and McCaffery, Peter J. 2016. Expression of the retinoic acid catabolic enzyme CYP26B1 in the human brain to maintain signaling homeostasis. Brain Structure and Function 221 (6) , pp. 3315-3326. 10.1007/s00429-015-1102-z

Abd El-wahab, H. A. A., Aboraia, A. S., Abdel-Rahman, H. M., El-Gendy, M. A. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2016. Mycobacterial CYP121 as a target for anti-TB drug discovery. Der Pharma Chemica 8 (6) , pp. 178-188.

Eissa, Ahmed G., Blaxland, James A., Williams, Rhodri O., Metwally, Kamel A., El-Adl, Sobhy M., Lashine, El-Sayed M., Baillie, Les ORCID: https://orcid.org/0000-0002-8186-223X and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2016. Targeting methionyl tRNA synthetase: design, synthesis and antibacterial activity against Clostridium difficileof novel 3-biaryl-N-benzylpropan-1-amine derivatives. Journal of Enzyme Inhibition and Medicinal Chemistry 31 (6) , pp. 1694-1697. 10.3109/14756366.2016.1140754

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

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

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

Linley, Ezra, Denyer, Stephen Paul, McDonnell, Gerald, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Maillard, Jean-Yves ORCID: https://orcid.org/0000-0002-8617-9288 2012. Use of hydrogen peroxide as a biocide: new consideration of its mechanisms of biocidal action. Journal of Antimicrobial Chemotherapy 67 (7) , pp. 1589-1596. 10.1093/jac/dks129

Linley, Ezra, Denyer, Stephen Paul, McDonnell, G., Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Maillard, Jean-Yves ORCID: https://orcid.org/0000-0002-8617-9288 2012. Use of hydrogen peroxide as a biocide: new consideration of its mechanisms of biocidal action. Journal of Antimicrobial Chemotherapy 67 (7) , pp. 1589-1596. 10.1093/jac/dks129

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

Natividad, Gaudencio M., Broadley, Kenneth John ORCID: https://orcid.org/0000-0002-3339-2050, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Kidd, Emma Jane ORCID: https://orcid.org/0000-0001-5507-1170, Ford, William Richard ORCID: https://orcid.org/0000-0002-8792-6169 and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2011. Actions of Artemisia vulgaris extracts and isolated sesquiterpene lactones against receptors mediating contraction of guinea pig ileum and trachea. Journal of Ethnopharmacology 137 (1) , pp. 808-816. 10.1016/j.jep.2011.06.042

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

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

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

Finnegan, Michelle, Linley, Ezra, Denyer, Stephen Paul, McDonnell, Gerald, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Maillard, Jean-Yves ORCID: https://orcid.org/0000-0002-8617-9288 2010. Mode of action of hydrogen peroxide and other oxidizing agents: differences between liquid and gas forms. Journal of Antimicrobial Chemotherapy 65 (10) , pp. 2108-2115. 10.1093/jac/dkq308

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

Al Moubarak, Ehab Moustapha and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2010. A homology model for Clostridium difficile methionyl tRNA synthetase: active site analysis and docking interactions. Journal of Molecular Modeling 17 (7) , pp. 1679-1693. 10.1007/s00894-010-0871-9

Jasamai, Malina, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Balzarini, Jan 2010. Synthesis of Novel 6-Azapyrimidine Acyclic Nucleoside Analogues and Antiviral Evaluation. Nucleosides, Nucleotides & Nucleic Acids 29 (7) , pp. 535-541. 10.1080/15257771003781634

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

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

Aboraia, A. S. M., Gomaa, M. S. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2008. Molecular modelling and synthesis of novel CYP26A1 inhibitors [334 Poster]. Presented at: EORTC-NCI-AACR Symposium on Molecular Targets and Cancer Therapeutics, Geneva, Switzerland, 20-24 October 2008. 20th EORTC-NCI-AACR Symposium on Molecular Targets and Cancer Therapeutics :. EJC Supplements (6) Amsterdam; London: Elsevier, p. 106. 10.1016/S1359-6349(08)72268-7

Jasamai, Malina, Balzarini, Jan and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2008. 6-Azathymidine-4′-thionucleosides: synthesis and antiviral evaluation. Journal of Enzyme Inhibition and Medicinal Chemistry 23 (1) , pp. 56-61. 10.1080/14756360701442340

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

Pautus, Stephane Mathieu, Coogan, Michael Peter and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2007. Synthesis and CYP26A1 inhibitory activity of 1-[benzofuran-2-yl-(4-alkyl/aryl-phenyl)-methyl]-1H-triazoles and amino-benzooxazole derivatives [Abstract]. Abstracts of Papers - American Chemical Society 233 , p. 636.

McCaffery, P. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2007. Prospective teratology of retinoic acid metabolic blocking agents (RAMBAs) and loss of CYP26 activity. Current Pharmaceutical Design 13 (29) , pp. 3020-3037. 10.2174/138161207782110534

Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100, Yee, S. W. and Campbell, M. J. 2006. Inhibition of vitamin D3 metabolism enhances VDR signalling in androgen-independent prostate cancer cells. The Journal of Steroid Biochemistry and Molecular Biology 98 (4-5) , pp. 228-235. 10.1016/j.jsbmb.2005.11.004

Saberi, M. R., Vinh, T. K., Yee, S. W., Griffiths, B. J. Nathan, Evans, Peter J. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2006. Potent CYP19 (Aromatase) 1-[(Benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole Inhibitors:  Synthesis and Biological Evaluation. Journal of Medicinal Chemistry 49 (3) , pp. 1016-1022. 10.1021/jm0508282

Pautus, Stephane Mathieu, Yee, Sook Wah, Jayne, Martyn John, Coogan, Michael Peter and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2006. Synthesis and CYP26A1 inhibitory activity of 1-[benzofuran-2-yl-(4-alkyl/aryl-phenyl)-methyl]-1H-triazoles. Bioorganic & Medicinal Chemistry 14 (11) , pp. 3643-3653. 10.1016/j.bmc.2006.01.018

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

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

Jasamai, Malina and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2005. The synthesis of novel 6-azapyrimidine-thio-nucleoside analogues [Abstract]. Journal of Pharmacy and Pharmacology 57 (S1) , S33. 10.1211/002235705778248451

Angotti, M., Hartmann, R. W,, Kirby, Andrew James, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100, Nicholls, Paul Joseph, Sewell, Robert David Edmund and Smith, H. J. 2005. Effect of 2-(4-aminophenylmethyl)-6-hydroxy-3, 4-dihydronaphthalen-1 (2H)-one on all-trans and 13-cis-retinoic acid levels in plasma quantified by high perfomance liquid chromatography coupled to tandem mass spectrometry. Journal Of Enzyme Inhibition And Medicinal Chemistry 20 (3) , pp. 219-226.

Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2005. Hot Topic: Nucleoside and Nucleotide Therapeutics: Recent Targets in Medicinal Chemistry [Editorial]. Current Topics in Medicinal Chemistry 5 (13) , pp. 1189-1190. 10.2174/156802605774463060

Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100, Wu, Qinpei and Htar, Thet-Thet 2005. Recent Advances in Antiviral Nucleoside and Nucleotide Therapeutics. Current Topics in Medicinal Chemistry 5 (13) , pp. 1191-1203. 10.2174/156802605774463051

Saberi, Mohammed Reza, Shah, Kajal and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2005. Benzofuran- and furan-2-yl-(phenyl)-3-pyridylmethanols: Synthesis and inhibition of P450 aromatase. Journal of Enzyme Inhibition and Medicinal Chemistry 20 (2) , pp. 135-141. 10.1080/14756360400015256

Yee, Sook Wah, Shah, Binal and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2005. Synthesis and antimycobacterial activity of 7-O-substituted-4-methyl-2H-2-chromenone derivativesvsMycobacterium tuberculosis. Journal of Enzyme Inhibition and Medicinal Chemistry 20 (2) , pp. 109-113. 10.1080/14756360400002015

Angotti, Marc, Hartmann, Rolf W., Kirby, Andrew James, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100, Nicholls, Paul Joseph, Sewell, Robert David Edmund and Smith, H. John 2005. Effect of 2-(4-aminophenylmethyl)-6-hydroxy-3,4-dihydronaphthalen-1(2H)-one on all-transand 13-cis-retinoic acid levels in plasma quantified by high perfomance liquid chromatography coupled to tandem mass spectrometry. Journal of Enzyme Inhibition and Medicinal Chemistry 20 (3) , pp. 219-226. 10.1080/14756360400008889

Abulrob, A. N., Suller, M. T. E., Gumbleton, Mark ORCID: https://orcid.org/0000-0002-7386-311X, Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 and Russell, A. D. 2004. Identification and biological evaluation of grapefruit oil components as potential novel efflux pump modulators in methicillin-resistant Staphylococcus aureus bacterial strains. Phytochemistry 65 (22) , pp. 3021-3027.

Yee, Sook Wah and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2004. Synthesis and CYP24 inhibitory activity of 2-substituted-3,4-dihydro-2H-naphthalen-1-one (tetralone) derivatives. Bioorganic & Medicinal Chemistry Letters 14 (22) , pp. 5651-5654.

Maslen, Hannah L, Hughes, David, Hursthouse, Mike, De Clercq, Erik, Balzarini, Jan and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2004. 6-Azapyrimidine-2'-deoxy-4'-thionucleosides: potent antiviral agents in TK+ and TK- HSV and VZV viral strains. Journal of Medicinal Chemistry 47 (22) , pp. 5482-5491. 10.1021/jm049806q

Yee, Sook Wah and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2004. Synthesis and evaluation of tetralone derivatives: P450 enzyme inhibitors as differentiating agents for the treatment of hormone-refractory prostate cancer. Journal Of Pharmacy And Pharmacology 56 (s1) , S58-S58.

Kifli, Nurolaini ORCID: https://orcid.org/0000-0002-8817-7956, De Clercq, Erik, Balzarini, J. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2004. Novel imidazo[1,2-c]pyrimidine base-modified nucleosides: synthesis and antiviral evaluation. Bioorganic & Medicinal Chemistry 12 (15) , pp. 4245-4252. 10.1016/j.bmc.2004.05.017

Greer, Valerie Patricia, Mason, Peter, Kirby, Andrew James, Smith, H., Nicholls, Paul Joseph and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2003. Some 1,2-diphenylethane derivatives as inhibitors of retinoic acid-metabolising enzymes. Journal of Enzyme Inhibition and Medicinal Chemistry 18 (5) , pp. 431-443.

Kirby, Andrew James, Le Lain, R., Maharlouie, F., Mason, P., Nicholls, P. J., Smith, H. J. and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2003. Inhibition of retinoic acid metabolising enzymes by 2-(4-aminophenylmethyl)-6-hydroxy-3,4-dihydronaphthalen-1(2H)-one and related compounds. Journal Of Enzyme Inhibition And Medicinal Chemistry 18 (1) , pp. 27-33.

Vinh, Tai Ky, Yee, Sook Wah, Kirby, Andrew James, Nicholls, Paul Joseph and Simons, Claire ORCID: https://orcid.org/0000-0002-9487-1100 2001. 1-[(Benzofuran-2-yl) phenylmethyl] triazoles as steroidogenic inhibitors: synthesis and in vitro inhibition of human placental CYP19 aromatase. Anti-Cancer Drug Design 16 (4-5) , pp. 217-225.