Lead Discovery of SARS-CoV-2 Main Protease Inhibitors through Covalent Docking-Based Virtual Screening-Reference-Cited by-同舟云学术

Lead Discovery of SARS-CoV-2 Main Protease Inhibitors through Covalent Docking-Based Virtual Screening

Published:2021-03-30 Issue:4 Volume:61 Page:2062-2073
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Amendola Giorgio¹^ORCID,Ettari Roberta²^ORCID,Previti Santo²^ORCID,Di Chio Carla²,Messere Anna¹,Di Maro Salvatore¹^ORCID,Hammerschmidt Stefan J.³,Zimmer Collin³,Zimmermann Robert A.³,Schirmeister Tanja³,Zappalà Maria²^ORCID,Cosconati Sandro¹^ORCID

Affiliation:

1. DiSTABiF, University of Campania Luigi Vanvitelli, Via Vivaldi 43, Caserta 81100, Italy

2. Department of Chemical, Biological, Pharmaceutical, and Environmental Sciences, University of Messina, Viale Annunziata, Messina 98168, Italy

3. Institute of Pharmaceutical and Biomedical Sciences, University of Mainz, Staudingerweg 5, Mainz 55128, Germany

Funder

Ministero dell?Istruzione, dell?Universit? e della Ricerca

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.1c00184

Reference56 articles.

1. Evolution of the novel coronavirus from the ongoing Wuhan outbreak and modeling of its spike protein for risk of human transmission

2. WHO Official Updates - Coronavirus disease (COVID-19) pandemic (https://www.who.int/emergencies/diseases/novel-coronavirus-2019, accessed December 28, 2020).

3. Drug targets for COVID-19 therapeutics: Ongoing global efforts

4. Insights into SARS-CoV-2 genome, structure, evolution, pathogenesis and therapies: Structural genomics approach

5. Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

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