| Abstract
| - Due to the emerging role of protein kinase CK2 as a molecule that participates not only in the developmentof some cancers but also in viral infections and inflammatory failures, small organic inhibitors of CK2,besides application in scientific research, may have therapeutic significance. In this paper, we present anew class of CK2 inhibitors3-carboxy-4(1H)-quinolones. This class of inhibitors has been selected viareceptor-based virtual screening of the Otava compound library. It was revealed that the most activecompounds, 5,6,8-trichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (7) (IC50 = 0.3 μM) and 4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid (9) (IC50 = 1 μM), are ATP competitive (Ki values are0.06 and 0.28 μM, respectively). Evaluation of the inhibitors on seven protein kinases shows considerableselectivity toward CK2. According to theoretical calculations and experimental data, a structural modeldescribing the key features of 3-carboxy-4(1H)-quinolones responsible for tight binding to CK2 active sitehas been developed.
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