3D-QSAR study and design of 4-hydroxyamino α-pyranone carboxamide analogues as potential anti-HCV agents

Wenlian Li,Faqi Xiao,Mingming Zhou,Xuejin Jiang,Jun Liu,Hongzong Si,Meng Xie,Xiuting Ma,Yunbo Duan,Honglin Zhai

Chemical Physics Letters（2016）

引用 11|浏览7

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摘要

•The derived QSAR model was demonstrated by validation methods.•Use the analysis of contour maps to provide useful information for designing potent inhibitors.•Design and screen satisfactory inhibitor structures based on 3D-QSAR study and the analysis of contour maps.

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关键词

Hepatitis C virus (HCV),Direct acting antivirals,QSAR,COMSIA,Design

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