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Search For Potent And Selective Aurora A Inhibitors Based On General Ser/Thr Kinases Pharmacophore Model
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1  "Novie Nauchnie Tekhnologii" (ASINEX Ltd.)

Published: 02 November 2015 by MDPI in 1st International Electronic Conference on Medicinal Chemistry session ECMC-1

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
Comments on this paper
Sergey Kutepov
Inhibitors of Ser/Thr kinases

Eugene Rastorguev
Potent And Selective Aurora A Inhibitors
Nice and topical research, indeed)

Peter Chernyshev

Ekaterina Manasova
Aurora A Inhibitors
this research is very interesting.

Sergey Zaharov
Inhibitors of Ser/Thr kinases
Quite interesting theme, a lot of work was performed.

Ekaterina Skrabelinskaya
Aurora A Inhibitors
very interesting

Alex Shirokov
Potent And Selective Aurora A Inhibitors
Interesting research

Victor Sipido
Aurora A inhibitors pharmacophore model
very interesting paper; high qualified research

Oxana Kravtsova
Aurora A Inhibitors
It is very interesting