Discovery of VHR phosphatase inhibitors with micromolar activity based on structure-based virtual screening

被引：10
|
作者：
Park, Hwangseo [1 ]
Jung, Suk-Kyeong [2 ]
Jeong, Dae Gwin [3 ]
Ryu, Seong Eon [3 ]
Kim, Seung Jun [2 ]
机构：
[1] Sejong Univ, Dept Biosci & Biotechnol, Seoul 143747, South Korea
[2] Korea Res Inst Biosci & Biotechnol, Translat Res Ctr, Taejon 305333, South Korea
[3] Korea Res Inst Biosci & Biotechnol, Syst Prote Res Ctr, Taejon 305333, South Korea
来源：
CHEMMEDCHEM | 2008年 / 3卷 / 06期
关键词：
docking; inhibitors; solvation; VHR phosphatase; virtual screening;
D O I：
10.1002/cmdc.200700348
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
(Chemical Equation Presented) Human VHR phosphatase has been shown to be involved in the regulation of cell-cycle progression and is itself modulated during the cell cycle, indicating that VHR can serve as a therapeutic target for cancer. In the present study, we identify new VHR inhibitors by means of a structure-based drug design protocol involving the virtual screening with docking simulations and in vitro enzyme assay. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码：877 / 880
页数：4
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