Discovery of non-covalent rhinovirus 3Cpro inhibitors by molecular docking, in vitro assays, molecular dynamics simulations and DFT analyses

Human rhinovirus 14 (HRV-14) is a leading cause of the common cold, with its 3C protease (3Cpro) playing a crucial role in viral replication by cleaving polyproteins into functional proteins and enzymes. This makes 3Cpro a promising target for therapeutic intervention. In this study, to identify nov...

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Bibliographic Details
Main Authors: Susu Zhang, Keli Zong, Jiajun Ruan, Xiaojing Liu, Xu Zhao, Youzhi Zhang, Chun Hu, Xingzhou Li
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-05-01
Series:Frontiers in Pharmacology
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Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2025.1560571/full
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