Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CL(pro)

The SARS-CoV-2 was confirmed to cause the global pandemic of coronavirus disease 2019 (COVID-19). The 3-chymotrypsin-like protease (3CLpro), an essential enzyme for viral replication, is a valid target to combat SARS-CoV and MERS-CoV. In this work, we present a structure-based study to identify pote...

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Detalhes bibliográficos
Publicado no:J Biomol Struct Dyn
Main Authors: Alamri, Mubarak A., Tahir ul Qamar, Muhammad, Mirza, Muhammad Usman, Bhadane, Rajendra, Alqahtani, Safar M., Muneer, Iqra, Froeyen, Matheus, Salo-Ahen, Outi M. H.
Formato: Artigo
Idioma:Inglês
Publicado em: Taylor & Francis 2020
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7332866/
https://ncbi.nlm.nih.gov/pubmed/32579061
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2020.1782768
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