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In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking, ADMET, Toxicity and DFT Studies

Papain-like protease is an essential enzyme in the proteolytic processing required for the replication of SARS-CoV-2. Accordingly, such an enzyme is an important target for the development of anti-SARS-CoV-2 agents which may reduce the mortality associated with outbreaks of SARS-CoV-2. A set of 69 s...

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Detalles Bibliográficos
Autores principales:	Alesawy, Mohamed S., Elkaeed, Eslam B., Alsfouk, Aisha A., Metwaly, Ahmed M., Eissa, Ibrahim H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8588135/ https://www.ncbi.nlm.nih.gov/pubmed/34771004 http://dx.doi.org/10.3390/molecules26216593

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