Ukr.Biochem.J. 2017; Volume 89, Issue 5, Sep-Oct, pp. 32-39

doi: https://doi.org/10.15407/ubj89.05.032

Search of protein kinase CK2 inhibitors based on purine-2,6-diones derivatives

12.10.2017   Uncategorized   No comments

M. V. Protopopov1, O. V. Ostrynska2, D. H. Ivanchenko3, S. A. Starosyla2,
V. G. Bdzhola2, M. I. Romanenko3, S. M. Yarmoluk2

1Taras Shevchenko National University of Kyiv, Ukraine;
e-mail: mykola.protopopov@gmail.com;
2Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine, Kyiv;
e-mail: sergiy@yarmoluk.org.ua;
3Zaporozhye State Medical University, Ukraine;
e-mail: ivanchenko230181@gmail.com

This work is aimed to the search of protein kinase CK2 inhibitors among the purine-2,6-dione derivatives by molecular docking and biochemical tests. It was found that the most active compound 8-[2-[(3-methoxyphenyl)methylidene]hydrazine-1-yl]-3-methyl-7-(3-phenoxypropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione inhibited protein kinase CK2 with IC50 value of 8.5 µM in vitro in kinase assay. Biochemical tests and computer simulation results allowed determining the binding mode of the most active compound and structure-activity relationships.

Keywords: , , , ,

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