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H172Y mutation perturbs the S1 pocket and nirmatrelvir binding of SARS-CoV-2 main protease through a nonnative hydrogen bond

Nirmatrelvir is an orally available inhibitor of SARS-CoV-2 main protease (Mpro) and the main ingredient of PAXLOVID, a drug approved by FDA for high-risk COVID-19 patients. Although the prevalent Mpro mutants in the SARS-CoV-2 Variants of Concern (e.g., Omicron) are still susceptible to nirmatrelvi...

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Detalles Bibliográficos
Autores principales:	de Oliveira, Vinicius Martins, Ibrahim, Mohamed Fourad, Sun, Xinyuanyuan, Hilgenfeld, Rolf, Shen, Jana
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Journal Experts 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9387537/ https://www.ncbi.nlm.nih.gov/pubmed/35982654 http://dx.doi.org/10.21203/rs.3.rs-1915291/v1

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