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<i>In Silico</i> 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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שמור ב:
Principais autores: Mohamed S. Alesawy, Eslam B. Elkaeed, Aisha A. Alsfouk, Ahmed M. Metwaly, Ibrahim H. Eissa
פורמט: Artigo
שפה:Inglês
יצא לאור: MDPI AG 2021-10-01
סדרה:Molecules
נושאים:
COVID-19
papain-like protease
pharmacophore
molecular docking
ADMET
toxicity
גישה מקוונת:https://www.mdpi.com/1420-3049/26/21/6593
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