In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase

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• 作者：Marcella Bassetto^a ; ^{bassettom@cardiff.ac.uk} ; Pieter Leyssen^b ; Johan Neyts^b ; Mark M. Yerukhimovich^c ; David N. Frick^c ; Matthew Courtney-Smith^a ; Andrea Brancale^a
• 关键词：Structure-based virtual screening ; HCV NS3-helicase ; Piperazine derivatives ; Anti-HCV activity ; NS3 helicase inhibitors
• 刊名：European Journal of Medicinal Chemistry
• 出版年：2017
• 出版时间：5 January 2017
• 年：2017
• 卷：125
• 期：Complete
• 页码：1115-1131
• 全文大小：2110 K
• 卷排序：125

文摘

Virtual screening studies on the HCV NS3 helicase. Identification of a substituted piperazine as new anti-HCV scaffold. Synthesis of different series of novel piperazine-based structures. New inhibitors of the subgenomic HCV replicon 1b genotype identified. Novel inhibitors of the HCV NS3 helicase discovered.