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

  • J Med Chem. 2012 Mar 22;55(6):2899-903. doi: 10.1021/jm2015167.
Zengye Hou  1 ,  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
Affiliations
  • 1. Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan.
PMID: 22339433 DOI: 10.1021/jm2015167
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.