In-silico investigation of phenolic compounds from leaves of Phillyrea angustifolia L. as a potential inhibitor against the SARS-CoV-2 main protease (Mpro PDB ID:5R83) using a virtual screening method
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Saudi Chemical Society"
DOI: 10.1016/j.jscs.2022.101473
Abstract: There is currently a global COVID-19 pandemic caused by the severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and its variants. This highly contagious viral disease continues to pose a major health threat global. The discovery of… read more here.
Keywords: phenolic compounds; inhibitor sars; sars cov; kcal mol ... See more keywords
Molecular Docking and Molecular Dynamics Simulations Discover Curcumin Analogue as a Plausible Dual Inhibitor for SARS-CoV-2
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DOI: 10.3390/ijms23031771
Abstract: Recently, the world has been witnessing a global pandemic with no effective therapeutics yet, while cancer continues to be a major disease claiming many lives. The natural compound curcumin is bestowed with multiple medicinal applications… read more here.
Keywords: sars cov; molecular docking; docking molecular; molecular dynamics ... See more keywords
Discovery of a Novel Trifluoromethyl Diazirine Inhibitor of SARS-CoV-2 Mpro
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DOI: 10.3390/molecules28020514
Abstract: SARS-CoV-2 Mpro is a chymotrypsin-like cysteine protease playing a relevant role during the replication and infectivity of SARS-CoV-2, the coronavirus responsible for COVID-19. The binding site of Mpro is characterized by the presence of a… read more here.
Keywords: inhibitor sars; cov mpro; trifluoromethyl diazirine; sars cov ... See more keywords
Teicoplanin is a potential inhibitor of SARS CoV-2 replication enzymes: A docking study
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DOI: 10.4103/2221-1691.294093
Abstract: Objective: To explore potential inhibitors of viral enzymes of SARS CoV-2. Methods: The in-silico docked potential of anti-viral, antibiotic, and analgesic drugs were studied for inhibition of the nonstructural protein (NSP) 9, NSP3, and NSP15… read more here.
Keywords: inhibitor sars; cov replication; potential inhibitor; teicoplanin potential ... See more keywords