Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main Protease-Reference-Cited by-同舟云学术

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

Published:2023-05-18 Issue:11 Volume:63 Page:3521-3533
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Clayton Joseph¹^ORCID,de Oliveira Vinícius Martins¹^ORCID,Ibrahim Mohamed Fouad²,Sun Xinyuanyuan²,Mahinthichaichan Paween¹^ORCID,Shen Mingzhe¹^ORCID,Hilgenfeld Rolf²³,Shen Jana¹^ORCID

Affiliation:

1. Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, Maryland 21201, United States

2. Institute for Molecular Medicine, University of Lübeck, Lübeck 23562, Germany

3. German Center for Infection Research (DZIF), Hamburg-Lübeck-Borstel-Riems Site, University of Lübeck, Lübeck 23562, Germany

Funder

National Cancer Institute

National Institute of General Medical Sciences

Deutsches Zentrum für Infektionsforschung

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00344

Reference51 articles.

1. Fact Shet for Emergency Use Authorization for Paxlovid, 2021. U.S. Food and Drug Administration. https://www.fda.gov/media/155050/download.

2. Nirmatrelvir Plus Ritonavir: First Approval

3. Oral Nirmatrelvir for High-Risk, Nonhospitalized Adults with Covid-19

4. Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

5. Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332

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