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

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.