Discovery of VHR phosphatase inhibitors with micromolar activity based on structure-based virtual screening = 구조기반 가상설계를 이용한 VHR 저해제 연구

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Title
Discovery of VHR phosphatase inhibitors with micromolar activity based on structure-based virtual screening = 구조기반 가상설계를 이용한 VHR 저해제 연구
Author(s)
H Park; Suk Kyeong Jung; Dae Gwin Jeong; Seong Eon Ryu; Seung Jun Kim
Bibliographic Citation
Chemmedchem, vol. 3, no. 6, pp. 877-880
Publication Year
2008
Abstract
(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.
Keyword
DockingInhibitorsSolvationVHR phosphataseVirtual screening
ISSN
1860-7187
Publisher
Wiley
DOI
http://dx.doi.org/10.1002/cmdc.200700348
Type
Article
Appears in Collections:
Division of Research on National Challenges > Infectious Disease Research Center > 1. Journal Articles
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