General Ser/Thr Kinases Pharmacophore Approach for Selective Kinase Inhibitors Search as Exemplified by Design of Potent and Selective Aurora A Inhibitors
Chemical Biology & Drug Design2016Vol. 88(1), pp. 54–65
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Abstract
A general pharmachophore model for various types of S er/ T hr 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 several S er/ T hr kinases such as A urora A , A urora B and H aspin. The possibility of performing the fine‐tuning of the general S er/ T hr pharmacophore to desired types of kinase to get active and selective inhibitors was exemplified by A urora A kinase. As a result, several hits in 3–5 n m range of activity against A urora A kinase with rather good selectivity and ADME properties were obtained.
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