Dr Claire Simons
Reader
School of Pharmacy and Pharmaceutical Sciences
- Available for postgraduate supervision
Overview
I graduated with a BSc (Hons) degree in Chemistry from Kings College London in 1989 and continued at Kings to undertake a PhD in the laboratories of Professor Colin B. Reese on "Studies in the synthesis of ribonucleoside and oligonucleotide analogues".
On completion of my PhD in 1992 I obtained a NIH exchange fellowship and worked at the Michigan Cancer Foundation (now the Karmanos Cancer Institute), Detroit, USA on the synthesis of antiviral allenic derived nucleic acids under the supervision of Dr Jiri Zemlicka.
In 1994 I returned to Europe to take up a postdoctoral position at the Institut de Chimie des Substances Naturelles, Gif-sur-Yvette, Paris to work on the Taxol project under the supervision of Dr Francoise Kuong-Huu and a postdoctoral position at the University of Leicester in the laboratories of Dr Paul Jenkins involving studies towards the total synthesis of Taxol.
I joined the School of Pharmacy and Pharmaceutical Sciences as a lecturer in 1995 and currently hold the position of Senior Lecturer.
Biography
Publications
2021
- Kumar, A.et al. 2021. Surface hydrophobics mediate functional dimerization of CYP121A1 of Mycobacterium tuberculosis. Scientific Reports 11(1), article number: 394. (10.1038/s41598-020-79545-y)
2020
- Kishk, S. M.et al. 2020. Molecular insights into human transmembrane protease serine-2 (TMPS2) inhibitors against SARS-CoV2: homology modelling, molecular dynamics, and docking studies. Molecules 25(21), article number: 5007. (10.3390/molecules25215007)
- Lebouvier, N.et al. 2020. Synthesis, optimization, antifungal activity, selectivity, and CYP51 binding of new 2-Aryl-3-azolyl-1-indolyl-propan-2-ols. Pharmaceuticals 13(8), article number: 186. (10.3390/ph13080186)
- Binjubair, F. A.et al. 2020. Small‐molecule inhibitors targeting sterol 14α‐Demethylase (CYP51): synthesis, molecular modelling and evaluation against Candida albicans. ChemMedChem 15(14), pp. 1294-1309., article number: Volume15, Issue14 July 20, 2020 Pages 1294-1309. (10.1002/cmdc.202000250)
- Bilip, M.et al. 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)
2019
- Kishk, S. M.et al. 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, S. M.et al. 2019. Synthesis and biological evaluation of novel cYY analogues targeting Mycobacterium tuberculosis CYP121A1. Bioorganic and Medicinal Chemistry 27(8), pp. -. (10.1016/j.bmc.2019.02.051)
- Mohammed, A. F.et al. 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)
2018
- Elbaramawi, S.et al. 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., article number: 28. (10.21608/ejchem.2018.4070.1357)
- Abd El-wahab, H. A.et al. 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)
2017
- Taban, I.et al. 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, I. M.et al. 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, I. M.et al. 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, S. S.et al. 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)
2016
- Stoney, P. N.et al. 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.et al. 2016. Mycobacterial CYP121 as a target for anti-TB drug discovery. Der Pharma Chemica 8(6), pp. 178-188.
- Eissa, A. G.et al. 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)
2014
- Ferla, S.et al. 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, S.et al. 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)
2012
- Gomaa, M. S.et al. 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)
- Linley, E.et al. 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, M. S.et al. 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, E.et al. 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)
2011
- Gomaa, M. S.et al. 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, G. M.et al. 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, M. S.et al. 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, A., Brancale, A. and Simons, C. 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)
2010
- Aboraia, A. S.et al. 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, M.et al. 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, A. S.et al. 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)
- Jasamai, M., Simons, C. and Balzarini, J. 2010. Synthesis of Novel 6-Azapyrimidine Acyclic Nucleoside Analogues and Antiviral Evaluation. Nucleosides, Nucleotides & Nucleic Acids 29(7), pp. 535-541. (10.1080/15257771003781634)
- Al Moubarak, E. M. and Simons, C. 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)
2009
- Pautus, S.et al. 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)
2008
- Gomaa, M. S.et al. 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, C. 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 200820th EORTC-NCI-AACR Symposium on Molecular Targets and Cancer Therapeutics :. EJC Supplements Vol. 6. Amsterdam; London: Elsevier pp. 106., (10.1016/S1359-6349(08)72268-7)
- Jasamai, M., Balzarini, J. and Simons, C. 2008. 6-Azathymidine-4′-thionucleosides: synthesis and antiviral evaluation. Journal of Enzyme Inhibition and Medicinal Chemistry 23(1), pp. 56-61. (10.1080/14756360701442340)
2007
- Gomaa, M. S., Simons, C. and Brancale, A. 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, S. M., Coogan, M. P. and Simons, C. 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, pp. 636.
- McCaffery, P. and Simons, C. 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)
2006
- Simons, C., 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.et al. 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)
- Gomaa, M. S.et al. 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)
- Pautus, S. M.et al. 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)
2005
- Yee, S. W.et al. 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, M. and Simons, C. 2005. The synthesis of novel 6-azapyrimidine-thio-nucleoside analogues [Abstract]. Journal of Pharmacy and Pharmacology 57(S1), pp. S33. (10.1211/002235705778248451)
- Angotti, M.et al. 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.
- Angotti, M.et al. 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)
- Yee, S. W., Shah, B. and Simons, C. 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)
- Saberi, M. R., Shah, K. and Simons, C. 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)
- Simons, C., Wu, Q. and Htar, T. 2005. Recent Advances in Antiviral Nucleoside and Nucleotide Therapeutics. Current Topics in Medicinal Chemistry 5(13), pp. 1191-1203. (10.2174/156802605774463051)
- Simons, C. 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)
2004
- Abulrob, A. N.et al. 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, S. W. and Simons, C. 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, H. L.et al. 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, S. W. and Simons, C. 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), pp. S58-S58.
- Kifli, N.et al. 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)
2003
- Greer, V. P.et al. 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, A. J.et al. 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.
2001
- Vinh, T. K.et al. 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.
Teaching
- PH1122 The role of the pharmacist in professional practice
- PH1125 Chemical and biological properties of drug molecules
- PH2110 Clinical & professionalpharmacy
- PH2112 Principles of drug design
- PH3110 Optimisation of pharmaceutical care
- PH4116 Pharmacy research or scholarship project
- PH4117 Pharmaceutical sciences, pharmacypractice and the population
Current PhD students
- Faizah BinJubair
- Hanadi Asiri
- Ahmed Eissa
Member of the School's Medicinal Chemistry research discipline.
Research interests
There are three main areas of research within my group at the School of Pharmacy and Pharmaceutical Sciences:
- Cellular differentiation and proliferation - targeting specific enzymes (CYP24 and CYP26) and receptors (PPAR) directed towards the development of therapeutics for the treatment of diseases associated with hyperproliferation e.g. cancers (hormone refractive prostate cancer (HRPC) and neuroblastoma (NBL)) and psoriasis, and as tools for investigating the underlying molecular biology associated with hyperproliferation and neurogenesis.
- Steroidogenesis - targeting enzymes associated with oestrogen production (primarily CYP19/aromatase) for the development of therapeutic agents for the treatment of hromone dependent breast cancer. Other enzyme targets of interest are 17b-hydroxysteroid dehydrogenase (17b-HSD) and oestrone sulfatase.
- Antiinfectives - covering antibacterial (including antimycobacterial) and antiviral agents. Targets include PgP efflux, InhA and P450 enzymes (antibacterial), reverse transcriptase (RT) and DNA polymerase (antiviral - nucleoside mimetics).
Research in my group is multidisciplinary and concerns design, employing computational methods and a range of software, synthesis and in vitro biological evaluation (in-house: CYP19, CYP24, CYP26, 17b-HSD; external collaborations: PPAR, oestrone sulfatase, antiviral and antimycobacterial assays).
