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Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CL(pro) through high-throughput virtual screening and molecular dynamics simulation

It has been confirmed that the new coronavirus SARS-CoV-2 caused the global pandemic of coronavirus disease 2019 (COVID-19). Studies have found that 3-chymotrypsin-like protease (3CL(pro)) is an essential enzyme for virus replication, and could be used as a potential target to inhibit SARS-CoV-2. In...

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Detalles Bibliográficos
Autores principales: Liu, Wen-Shan, Li, Han-Gao, Ding, Chuan-Hua, Zhang, Hai-Xia, Wang, Rui-Rui, Li, Jia-Qiu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Impact Journals 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7993695/
https://www.ncbi.nlm.nih.gov/pubmed/33678621
http://dx.doi.org/10.18632/aging.202703