Searching for more effective HCV NS3 protease inhibitors via modification of corilagin  

作　　者：WANG Yue YANG Xiaosheng LI Zhengquan ZHANG Wei CHEN Lirong XU Xiaojie 

机构地区：[1]College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China [2]The Key Laboratory of Chemistry for Natural Products of Guizhou Province, Chinese Academy of Sciences, Guiyang 550002, China

出　　处：《Progress in Natural Science:Materials International》2005年第10期896-901,共6页自然科学进展·国际材料（英文版）

基　　金：Supported by National Natural Science Foundation of China (Grant No. 20375002)

摘　　要：Conlagin was seperated from extract of Phyllanthus urinaria L. and used as the precursor of inhibitors of hepatitis C virus （HCV） NS3 .serine protease. Six derivatives were obtained through the chemical modification of corilagin and their structures were elucidated by the spectra analysis. Bioassay of these compounds showed that two of them had improved inhibitory efficiency than the pre cursor, with IC50 values of 2.28 μmol/L and 1.52 μmol/L, respectively. The binding mode of two active compounds with substrate binding site of HCV NS3 protease was also investigated by molecular docking method.Corilagin was seperated from extract of Phyllanthus urinaria L. and used as the precursor of inhibitors of hepatitis C virus (HCV) NS3 serine protease. Six derivatives were obtained through the chemical modification of corilagin and their structures were elucidated by the spectra analysis. Bioassay of these compounds showed that two of them had improved inhibitory efficiency than the precursor, with IC50 values of 2.28 μmol/L and 1.52 μmol/L, respectively. The binding mode of two active compounds with substrate binding site of HCV NS3 protease was also investigated by molecular docking method.

关 键 词：CORILAGIN synthesis HCV NS3 serine protease molecular docking. 

分 类 号：R977.3[医药卫生—药品]