Search for Potent and Selective Aurora A Inhibitors Based on General Ser/Thr Kinase Pharmacophore Model
AbstractBased 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
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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.
Vasilevich NI, Tatarskiy VV, Aksenova EA, Kazyulkin DN, Afanasyev II. Search for Potent and Selective Aurora A Inhibitors Based on General Ser/Thr Kinase Pharmacophore Model. Pharmaceuticals. 2016; 9(2):19.Chicago/Turabian Style
Vasilevich, Natalya I.; Tatarskiy, Victor V.; Aksenova, Elena A.; Kazyulkin, Denis N.; Afanasyev, Ilya I. 2016. "Search for Potent and Selective Aurora A Inhibitors Based on General Ser/Thr Kinase Pharmacophore Model." Pharmaceuticals 9, no. 2: 19.
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