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Article

Structure-based virtual screening of natural compounds against wild and mutant (R1155K, A1156T and D1168A) NS3-4A protease of Hepatitis C virus.

Journal of biomolecular structure & dynamics - 1 Oct 2024

Samantaray Mahesh, Pattabiraman Ramya, Murthy T P Krishna, Ramaswamy Amutha, Murahari Manikanta, Krishna Swati, Kumar S Birendra

Abstract excerpt

NS3-4A, a serine protease, is a primary target for drug development against Hepatitis C Virus (HCV). However, the effectiveness of potent next-generation protease inhibitors is limited by the emergence of mutations and resulting drug resistance. To address this, in this study a structure-based drug design approach is employed to screen a large library of 7320 natural compounds against both wild-type and mutant...

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Identifiers

PMID: 37646701
DOI: 10.1080/07391102.2023.2246583

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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