Identification of ellagic acid as potent inhibitor of protein kinase CK2: A successful example of a virtual screening application

被引:134
作者
Cozza, G
Bonvini, P
Zorzi, E
Poletto, G
Pagano, MA
Sarno, S
Donella-Deana, A
Zagotto, G
Rosolen, A
Pinna, LA
Meggio, F
Moro, S
机构
[1] Univ Padua, Dipartimento Sci Farmaceut, Mol Modeling Sect, I-35131 Padua, Italy
[2] Univ Padua, Dipartimento Chim Biol, Padua, Italy
[3] Univ Padua, Clin Oncoematol Pediat, Azienda Osped, Padua, Italy
关键词
D O I
10.1021/jm060112m
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
Casein kinase 2 (CK2) is a ubiquitous, essential, and highly pleiotropic protein kinase whose abnormally high constitutive activity is suspected to underlie its pathogenic potential in neoplasia and other diseases. Using a virtual screening approach, we have identified the ellagic acid, a naturally occurring tannic acid derivative, as a novel potent CK2 inhibitor, At present, ellagic acid represents the most potent known CK2 inhibitor (K-i = 20 nM).
引用
收藏
页码:2363 / 2366
页数:4
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