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

页码：877 / 880

页数：4

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