Structure-Based Design of Novel Potent Protein Kinase CK2 (CK2) Inhibitors with Phenyl-azole Scaffolds

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• 作者：Zengye Hou ; Isao Nakanishi ; Takayoshi Kinoshita ; Yoshinori Takei ; Misato Yasue ; Ryosuke Misu ; Yamato Suzuki ; Shinya Nakamura ; Tatsuhide Kure ; Hiroaki Ohno ; Katsumi Murata ; Kazuo Kitaura ; Akira Hirasawa ; Gozoh Tsujimoto ; Shinya Oishi ; Nobutaka Fujii
• 刊名：Journal of Medicinal Chemistry
• 出版年：2012
• 出版时间：March 22, 2012
• 年：2012
• 卷：55
• 期：6
• 页码：2899-2903
• 全文大小：343K
• 年卷期：v.55,no.6(March 22, 2012)
• ISSN：1520-4804

文摘

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.