Structure-based design of novel potent protein kinase CK2 (CK2) inhibitors with phenyl-azole scaffolds

Journal of Medicinal Chemistry
Zengye HouNobutaka Fujii

Abstract

Protein kinase CK2 (CK2) is a ubiquitous serine/threonine protein kinase for hundreds of endogenous substrates. CK2 has been considered to be involved in many diseases, including cancers. Herein we report the discovery of a novel ATP-competitive CK2 inhibitor. Virtual screening of a compound library led to the identification of a hit 2-phenyl-1,3,4-thiadiazole compound. Subsequent structural optimization resulted in the identification of a promising 4-(thiazol-5-yl)benzoic acid derivative.

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Citations

Feb 12, 2013·Journal of Chemical Information and Modeling·Guo-Bo LiSheng-Yong Yang
Oct 15, 2013·Journal of Synchrotron Radiation·Takayoshi KinoshitaIsao Nakanishi
Apr 29, 2015·European Journal of Medicinal Chemistry·Isao NakanishiKazuo Kitaura
Aug 29, 2012·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Cledualdo Soares de OliveiraPetrônio Filgueiras de Athayde-Filho
Dec 20, 2018·Molecular & Cellular Proteomics : MCP·Karsten KrugD R Mani
Mar 1, 2019·Molecular & Cellular Proteomics : MCP·Karsten KrugD R Mani
Oct 30, 2020·Journal of Medicinal Chemistry·Paul BrearMarko Hyvönen
May 19, 2018·The Journal of Organic Chemistry·Wei GuoXiaolin Fan

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