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Sean Ekins is a British pharmacologist and expert in the fields of ADME/Tox, computational toxicology and cheminformatics at Collaborations in Chemistry, a division of corporate communications firm Collaborations in Communications. He is also the editor of four books and a book series for John Wiley & Sons. ==Biography== Sean Ekins was born in Cleethorpes, England, on 2 March 1970 to John Ekins and Elsie May Ekins. He grew up in Grimsby. Ekins attended Edward Street Primary and Middle School followed by Havelock School. Ekins then earned his HND Science (Applied Biology from Nottingham Trent University (formerly Polytechnic, 1988–1991), graduating in 1991, with a sandwich year (1989–1990) at the pharmaceutical company Servier in Fulmer, UK where his interest in drug discovery was established. Ekins then earned his M.Sc. in Clinical Pharmacology (1991–1992) at the University of Aberdeen with a dissertation entitled “Speculations on the relative roles of cytochrome P450 and flavin containing monooxygenase in the metabolism of S12363”〔Ekins, S., et al. (1993) The role of cytochrome P4503A in the metabolism of the vinca alkaloid a-aminophosphonate derivative S12363 by human liver microsomes. ''Br J Clin. Pharmacol'' 36, 165-166P〕 he then earned a Ph.D. in clinical pharmacology, at the University of Aberdeen in 1996, funded by Servier, and wrote a thesis entitled “Maintenance and cryopreservation of xenobiotic metabolism in precision-cut liver slices. Evaluation of an alternative in vitro model to isolated hepatocytes”. During his PhD he developed an interest in predicting drug-drug interactions computationally as an alternative to using animal models. From 1996-1998 Ekins continued his research as a Postdoc at Eli Lilly and Company laboratories characterizing the little-known CYP2B6 and applied computational methods to this enzyme. He collected drug-drug interaction Ki data for other P450s and generated pharmacophores. He created test sets to test the models, that were ultimately published.〔http://jpet.aspetjournals.org/content/291/1/424.full.pdf+html?sid=99bffa04-48cb-4cbf-bac6-d94e568b5b31 Ekins, S. Bravi, G. Binkley, S. Gillespie, J.S. Ring, B.J. Wikel, J.H. and Wrighton S.A. (1999) Three and four dimensional-quantitative structure activity relationship analyses of CYP3A4 inhibitors. ''J Pharm Exp Ther'' 290, 429-438〕〔http://jpet.aspetjournals.org/content/291/1/424.full.pdf+html?sid=99bffa04-48cb-4cbf-bac6-d94e568b5b31 Ekins, S. Bravi, G. Wikel J.H. and Wrighton SA (1999) Three dimensional quantitative structure activity relationship (3D-QSAR) analysis of CYP3A4 substrates. ''J Pharmacol Exp Thera'' 291, 424-433〕 He published seminal ideas on how such models could be used to profile libraries of compounds for predicted drug-drug interactions.〔Ekins, S. et al. (2000) Predicting drug-drug interactions in silico using pharmacophores: a paradigm for the next millennium. In Pharmacophore perception, development, and use in drug design (Guner, O.F., ed.), pp. 269-299, IUL〕 In late 1998 Ekins joined Pfizer and continued his interest in predicting drug-drug interactions and ADME properties. In 1999 he moved to Lilly to build a predictive ADME/Tox group. Between 1999 and late 2001 he generated pharmacophores and statistical models for various proteins including P-glycoprotein,〔hERG〕〔http://jpet.aspetjournals.org/content/301/2/427.full.pdf+html?sid=99bffa04-48cb-4cbf-bac6-d94e568b5b31 Ekins, S. Crumb, W.J. Sarazan, R.D. Wikel, J.H. and Wrigton, S.A. (2002) Three dimensional quantitative structure activity relationship for the inhibition of the hERG (human ether-a-gogo related gene) potassium channel. ''J Pharmacol Exp Thera'' 301, 427-434〕 PXR and enzymes.〔Ekins, S. et al. (2002) Pharmacophore insights into the active sites of the CYP3A enzymes. The Pharmacologist 44 Supplement, 114.〕 In December 2001 he started work for a start-up company, Concurrent Pharmaceuticals (now Vitae Pharmaceuticals) as the Associate Director, Computational Drug Discovery. He was responsible for developing computational models for ADME/Tox and targets of interest. During this time he developed an interest in the polypharmacology of ADME/Tox proteins. In 2004 he joined GeneGo (now owned by Thomson Reuters) as Vice President, Computational Biology and developed the MetaDrug product (patent pending).〔Ekins, S. et al. (2005) Systems biology: applications in drug discovery. In Drug discovery handbook (Gad, S., ed.), pp. 123-183, Wiley〕 In 2005 he earned his D.Sc. in Science from the University of Aberdeen with a thesis entitled “Computational and in vitro models for predicting drug interactions in humans”. Since 2006 Ekins has consulted for several companies including on pharmacoeconomics and performing research on Tuberculosis Drug Discovery for Collaborative Drug Discovery.〔Ekins, S. et al. (2010) Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis Mol BioSyst 6, 2316-2324〕 Ekins has also carried out independent research and collaborative research on topics including pharmacophores for drug transporters, cheminformatics for predicting immunoassay cross reactivity, models for studying nuclear receptor-ligand co-evolution, computational models for PXR agonists and antagonists as well as analyses of large datasets and crowdsourcing data. 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「Sean Ekins」の詳細全文を読む スポンサード リンク
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