Next Article in Journal / Special Issue
Alkanediamide-Linked Bisbenzamidines Are Promising Antiparasitic Agents
Previous Article in Journal
A Selenium Containing Inhibitor for the Treatment of Hepatocellular Cancer
Previous Article in Special Issue
First International Electronic Conference on Medicinal Chemistry (ECMC-1)
Open AccessArticle

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
Pharmaceuticals 2016, 9(2), 19; https://doi.org/10.3390/ph9020019
Received: 21 December 2015 / Revised: 29 March 2016 / Accepted: 1 April 2016 / Published: 13 April 2016
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
Show Figures

Figure 1

MDPI and ACS Style

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.

Show more citation formats Show less citations formats
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop