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Pharmaceuticals 2016, 9(2), 19;

Search for Potent and Selective Aurora A Inhibitors Based on General Ser/Thr Kinase Pharmacophore Model

ASINEX Company Group, Novie Nauchnie Tekhnologii Ltd., 20 Geroev Panfilovtsev Street, Moscow 125480, Russia
Author to whom correspondence should be addressed.
Academic Editor: Jean Jacques Vanden Eynde
Received: 21 December 2015 / Revised: 29 March 2016 / Accepted: 1 April 2016 / Published: 13 April 2016
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Based on the data for compounds known from the literature to be active against various types of Ser/Thr kinases, a general pharmachophore model for these types of kinases was developed. The search for the molecules fitting to this pharmacophore among the ASINEX proprietary library revealed a number of compounds, which were tested and appeared to possess some activity against Ser/Thr kinases such as Aurora A, Aurora B and Haspin. Our work on the optimization of these molecules against Aurora A kinase allowed us to achieve several hits in a 3–5 nM range of activity with rather good selectivity and Absorption, Distribution, Metabolism, and Excretion (ADME) properties, and cytotoxicity against 16 cancer cell lines. Thus, we showed the possibility to fine-tune the general Ser/Thr pharmacophore to design active and selective compounds against desired types of kinases. View Full-Text
Keywords: general pharmachophore model; Ser/Thr kinases; Aurora A general pharmachophore model; Ser/Thr kinases; Aurora A

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Vasilevich, N.I.; Tatarskiy, V.V.; Aksenova, E.A.; Kazyulkin, D.N.; Afanasyev, I.I. Search for Potent and Selective Aurora A Inhibitors Based on General Ser/Thr Kinase Pharmacophore Model. Pharmaceuticals 2016, 9, 19.

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