Bioorganic & medicinal chemistry

Molecular modeling based approach, synthesis and in vitro assay to new indole inhibitors of hepatitis C NS3/4A serine protease

NSM Ismail, M Hattori

文献索引：Ismail, Nasser S.M.; Hattori, Masao Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 1 p. 374 - 383

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被引用次数: 13

摘要

In an attempt to identify potential HCV NS3 protease inhibitors lead compounds, a series of novel indoles (10a–g) was designed. Molecular modeling study, including fitting to a 3D- pharmacophore model of the designed molecules (10a–g), with HCV NS3 protease hypothesis using catalyst program was fulfilled. Also, the molecular docking into the NS3 active site was examined using Discovery Studio 2.5 software. Several compounds ...