Abstract
Computer simulation at the PM7 level of theory of the structures of imidazo[4,5-c]pyridine derivatives (deaza analogs of purines) and their complexes with Aurora kinase A (AURKA) indicated prospects for their use as potential AURKA inhibitors in the treatment of oncological diseases. A number of new compounds of the selected imidazo[4,5-c]pyridine series, for which the highest inhibitory activity against AURKA was predicted, were synthesized in high yields for further biological testing.
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