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Article

Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main Protease.

Journal of chemical information and modeling - 12 Jun 2023

Clayton Joseph, de Oliveira Vinícius Martins, Ibrahim Mohamed Fouad, Sun Xinyuanyuan, Mahinthichaichan Paween, Shen Mingzhe, Hilgenfeld Rolf, Shen Jana

Abstract excerpt

Nirmatrelvir is an orally available inhibitor of SARS-CoV-2 main protease (Mpro) and the main ingredient of Paxlovid, a drug approved by the U.S. Food and Drug Administration for high-risk COVID-19 patients. Recently, a rare natural mutation, H172Y, was found to significantly reduce nirmatrelvir's inhibitory activity. As the COVID-19 cases skyrocket in China and the selective pressure of antiviral therapy builds...

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Identifiers

PMID: 37199464
DOI: 10.1021/acs.jcim.3c00344
PMCID: PMC10237302

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