In Silico End-to-End Protein–Ligand Interaction Characterization Pipeline: The Case of SARS-CoV-2-Reference-Cited by-同舟云学术

In Silico End-to-End Protein–Ligand Interaction Characterization Pipeline: The Case of SARS-CoV-2

Published:2021-11-04 Issue:11 Volume:10 Page:3209-3235
ISSN:2161-5063
Container-title:ACS Synthetic Biology
language:en
Short-container-title:ACS Synth. Biol.

Author:

Rosário-Ferreira Nícia¹²^ORCID,Baptista Salete J.²³,Barreto Carlos A. V.²⁴^ORCID,Rodrigues Filipe E. P.⁵,Silva Tomás F. D.⁵^ORCID,Ferreira Sara G. F.⁵,Vitorino João N. M.⁵,Melo Rita²³^ORCID,Victor Bruno L.⁵,Machuqueiro Miguel⁵^ORCID,Moreira Irina S.⁶^ORCID

Affiliation:

1. Coimbra Chemistry Center, Chemistry Department, Faculty of Science and Technology, University of Coimbra, Coimbra 3004-535, Portugal

2. CNC─Center for Neuroscience and Cell Biology. University of Coimbra, UC Biotech Building, Cantanhede 3060-197, Portugal

3. Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, Estrada Nacional 10, ao km 139,7, Bobadela 2695-066, Portugal

4. PhD Programme in Experimental Biology and Biomedicine, Institute for Interdisciplinary Research (IIIUC), University of Coimbra, Coimbra 3000-456, Portugal

5. BioISI─Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Lisboa, 1749-016, Portugal

6. University of Coimbra, Center for Neurosciences and Cell Biology, Department of Life Sciences, Coimbra 3000-456, Portugal

Funder

Funda????o para a Ci??ncia e a Tecnologia

Publisher

American Chemical Society (ACS)

Subject

Biochemistry, Genetics and Molecular Biology (miscellaneous),Biomedical Engineering,General Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acssynbio.1c00368

Reference29 articles.

1. High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2

2. Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors

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

4. Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds

5. Potential SARS-CoV-2 main protease inhibitors

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