Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening-Reference-Cited by-同舟云学术

Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening

Published:2021-11-22 Issue:12 Volume:61 Page:6094-6106
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Rubio-Martínez Jaime¹^ORCID,Jiménez-Alesanco Ana²³,Ceballos-Laita Laura²⁴^ORCID,Ortega-Alarcón David²³,Vega Sonia²,Calvo Cristina⁵⁶,Benítez Cristina⁵⁶,Abian Olga²³⁴⁵⁷,Velázquez-Campoy Adrián²³⁴⁵⁸,Thomson Timothy M.⁵⁶⁹,Granadino-Roldán José Manuel¹⁰^ORCID,Gómez-Gutiérrez Patricia¹¹^ORCID,Pérez Juan J.¹¹^ORCID

Affiliation:

1. Department of Materials Science and Physical Chemistry, University of Barcelona and the Institut de Recerca en Quimica Teorica i Computacional (IQTCUB), 08028 Barcelona, Spain

2. Institute for Biocomputation and Physics of Complex Systems (BIFI), Joint Units IQFR-CSIC-BIFI, and GBsC-CSIC-BIFI, Universidad de Zaragoza, 50018 Zaragoza, Spain

3. Departamento de Bioquímica y Biología Molecular y Celular, Universidad de Zaragoza, 50018 Zaragoza, Spain

4. Instituto de Investigación Sanitaria de Aragón (IIS Aragon), 50009 Zaragoza, Spain

5. Centro de Investigación Biomédica en Red en el Área Temática de Enfermedades Hepáticas Digestivas (CIBERehd), 28029 Madrid, Spain

6. Institute of Molecular Biology of Barcelona (IBMB-CSIC), 08028 Barcelona, Spain

7. Instituto Aragonés de Ciencias de la Salud (IACS), 50018 Zaragoza, Spain

8. Fundación ARAID, Gobierno de Aragón, 50018 Zaragoza, Spain

9. Universidad Peruana Cayetano Heredia, San Martín de Porres 15102, Perú

10. Departamento de Química Física y Analítica, Facultad de Ciencias Experimentales, Universidad de Jaén, Campus “Las Lagunillas” s/n, 23071, Jaén, Spain

11. Department of Chemical Engineering, Universitat Politecnica de Catalunya- Barcelona Tech, Av. Diagonal, 647, 08028 Barcelona, Spain

Funder

Departament d'Innovaci??, Universitats i Empresa, Generalitat de Catalunya

Ministerio de Ciencia Tecnolog??a y Telecomunicaciones

Instituto de Salud Carlos III

Spanish Ministry of Economy and Innovation

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.1c00951

Reference63 articles.

1. Susan, P. Viruses: From Understanding to Investigation. Chapter 17 - Family Coronaviridae; Academic Press: New York, 2017; pp. 149–158.

2. SARS and MERS: recent insights into emerging coronaviruses

3. COVID-19 Dashboard by the Center for Systems Science and Engineering (CSSE) at Johns Hopkins University (JHU). Available on-line at: https://coronavirus.jhu.edu/map.html. (accessed June 20, 2021).

4. Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing

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