The Inhibitory Potential of 2′-dihalo Ribonucleotides against HCV: Molecular Docking, Molecular Simulations, MM-BPSA, and DFT Studies

Sofosbuvir is the first approved direct-acting antiviral (DAA) agent that inhibits the HCV NS5B polymerase, resulting in chain termination. The molecular models of the 2′-dihalo ribonucleotides used were based on experimental biological studies of HCV polymerase inhibitors. They were modeled within...

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Bibliographic Details
Main Authors: Ahmed Khalil, Amany S. El-Khouly, Eslam B. Elkaeed, Ibrahim H. Eissa
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/27/14/4530