Potential of Ficus microcarpa metabolites against SARS-CoV-2 main protease supported by docking studies

COVID 19; an infectious disease; firstly identified in December 2019 in Wuhan, China and has since spread globally, resulting in an ongoing pandemic. Searching for protease inhibitors is a challenging task in controlling COVID 19. Genus Ficus is known to be a rich source of phenolic compounds. Metab...

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Bibliographic Details
Published in:Natural product research 2022-02, Vol.36 (4), p.994-998
Main Authors: Hassan, Heba Ali, Abdelmohsen, Usama Ramadan, Aly, Omar M, Desoukey, Samar Y, Mohamed, Khaled M, Kamel, Mohamed S
Format: Article
Language:English
Subjects:
Antiviral Agents - chemistry
Antiviral Agents - pharmacology
Binding sites
Coronavirus 3C Proteases - antagonists & inhibitors
COVID-19
COVID-19 - drug therapy
Docking
Ficus - chemistry
Ficus microcarpa
Humans
Infectious diseases
Metabolites
Molecular Docking Simulation
Molecular Dynamics Simulation
Pandemics
Phenolic compounds
Phenols
Plant Extracts - chemistry
Plant Extracts - pharmacology
Protease
Protease inhibitors
Proteinase inhibitors
Public health
Quercetin
Rutin
SARS-CoV-2 - drug effects
Severe acute respiratory syndrome
Severe acute respiratory syndrome coronavirus 2
Viral diseases
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Summary:COVID 19; an infectious disease; firstly identified in December 2019 in Wuhan, China and has since spread globally, resulting in an ongoing pandemic. Searching for protease inhibitors is a challenging task in controlling COVID 19. Genus Ficus is known to be a rich source of phenolic compounds. Metabolic profiling of leaves methanolic extract of (Moraceae) revealed nine compounds ( - ) mainly phenolics. Docking studies concerning these compounds against SARS-CoV-2 main protease showed that quercetin 3,7-O-α-L-dirhamnoside ( and rutin ( possessed significant binding stability at the N3 binding site in different activity degrees, which is comparable with COVID-19 main protease inhibitor, darunavir. Our study suggests that compounds quercetin 3,7-O-α-L-dirhamnoside and rutin might be potential candidates for the development of therapies against SARS CoV-2.
ISSN:1478-6419
1478-6427
DOI:10.1080/14786419.2020.1839452