3D conformation and crystal interaction insights into drug development challenges for HCV drug analogues via molecular simulations

Abstract ABT-333 and ABT-072 are two potent non-nucleoside NS5B polymerase inhibitors designed for the treatment of the hepatitis C virus (HCV). These structural analogs differ only by a minor substituent change, which disrupts the planarity of the naphthyl group on the ABT-333 compound through the...

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Bibliographic Details
Main Authors: Richard S. Hong, Alessandra Mattei, Mark E. Tuckerman, Ahmad Y. Sheikh
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-025-01618-8
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