Events1st International Electronic Conference on Medicinal Chemistry
Event submissions
Published
with-doi10.3390/ecmc-1-A036
This submission belongs to the session A. ECMC-1 of the event 1st International Electronic Conference on Medicinal Chemistry
Published date
02 Nov, 2015
Citation
Natalya I. Vasilevich, Elena A. Aksenova, Denis N. Kazyulkin, Ilya I. Afanasyev, Search For Potent And Selective Aurora A Inhibitors Based On General Ser/Thr Kinases Pharmacophore Model, in Proceedings of 1st International Electronic Conference on Medicinal Chemistry, 2 November–27 November 2015, MDPI: Basel, Switzerland, doi: 10.3390/ecmc-1-A036
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Search For Potent And Selective Aurora A Inhibitors Based On General Ser/Thr Kinases Pharmacophore Model

Natalya I. Vasilevich 1
Elena A. Aksenova 1
Denis N. Kazyulkin 1
Ilya I. Afanasyev 1
1. "Novie Nauchnie Tekhnologii" (ASINEX Ltd.)
Abstract

Based on the data of 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. Search for the molecules fitting to this pharmacophore among ASINEX proprietary library revealed a number of compounds, which were tested and appeared to possess some activity against such Ser/Thr kinases as Aurora A, Aurora B and Haspin.

Our work on optimization of these molecules to Aurora A kinase allowed us to achieve several hits in 3-5 nM range of activity, with rather good selectivity and ADME properties.

Thus we showed the possibility of performing the fine-tuning of the general Ser/Thr pharmacophore designed to desired types of kinase to get active and selective compounds.

Keywords
Inhibitors of Ser/Thr kinases
pharmacophore model
Aurora A kinase
Poster
Aurora_2015 revised.pdf
Aurora_2015 revised.pdf
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