Virtual screening, optimization design, and synthesis analysis of novel benzofuran derivatives as pan-genotypic HCV NS5B polymerase inhibitors using molecular modeling

Virtual screening, optimization design, and synthesis analysis of novel benzofuran derivatives as pan-genotypic HCV NS5B polymerase inhibitors using molecular modeling

Abstract Hepatitis C virus (HCV) infection is a global health concern, with HCV exhibiting high variability across eight major genotypes and multiple subtypes. A series of benzofuran inhibitors have been proven to exhibit effective antiviral effects on HCV NS5B polymerase of multiple genotypes. Give...

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Bibliographic Details
Main Authors: Di Han, Yiwei Xue, Fang Zhao, Fengxiang Liu, Hongcheng Xia, Jiarui Lu, Meiting Wang, Taigang Liu, Shaoli Cui, Junqiang Zhao, Zongya Zhao, Qinghe Gao, Wei Cui, Yongtao Xu
Format: Article
Language:English
Published: BMC 2025-07-01
Series:BMC Chemistry
Subjects:
HCV NS5B polymerase
Pan-genotypic benzofuran inhibitor
Drug design
Molecular dynamics simulations
Reverse synthesis analysis
Online Access:https://doi.org/10.1186/s13065-025-01575-2
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