Dr Claire Simons

2020

• 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.