Large-Scale Virtual Screening for the Discovery of SARS-CoV-2 Papain-like Protease (PLpro) Non-covalent Inhibitors-Reference-Cited by-同舟云学术

Large-Scale Virtual Screening for the Discovery of SARS-CoV-2 Papain-like Protease (PLpro) Non-covalent Inhibitors

Published:2023-03-17 Issue:7 Volume:63 Page:2158-2169
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Garland Olivia¹^ORCID,Ton Anh-Tien¹,Moradi Shoeib²,Smith Jason R.¹³,Kovacic Suzana³,Ng Kurtis⁴,Pandey Mohit¹,Ban Fuqiang¹,Lee Jaeyong²,Vuckovic Marija²,Worrall Liam J.²,Young Robert N.³^ORCID,Pantophlet Ralph⁴⁵^ORCID,Strynadka Natalie C. J.²^ORCID,Cherkasov Artem¹^ORCID

Affiliation:

1. Vancouver Prostate Centre, University of British Columbia, Vancouver, British Columbia V6H 3Z6, Canada

2. Department of Biochemistry and Molecular Biology and Centre for Blood Research, University of British Columbia, Vancouver, British Columbia V6T 1Z3, Canada

3. Department of Chemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6, Canada

4. Faculty of Health Sciences, Simon Fraser University, Burnaby, British Columbia V5A 1S6, Canada

5. Department of Molecular Biology and Biochemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6, Canada

Funder

Canadian Institutes of Health Research

Canada Foundation for Innovation

National Institute of Allergy and Infectious Diseases

Public Health Agency of Canada

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.2c01641

Reference28 articles.

1. Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir

2. Heilmann, E.; Costacurta, F.; Volland, A.; von Laer, D. von. SARS-CoV-2 3CLpro Mutations Confer Resistance to Paxlovid (Nirmatrelvir/Ritonavir) in a VSV-Based, Non-Gain-of-Function System. 2022, bioRxiv: 2022.07.02.495455.

3. Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity

4. Severe Acute Respiratory Syndrome Coronavirus Papain-Like Protease Ubiquitin-Like Domain and Catalytic Domain Regulate Antagonism of IRF3 and NF-κB Signaling

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