IDENTIFICATION OF POTENTIAL ANTIVIRUS FROM Moringa oleifera LEAF AS MPRO SARS-COV-2 INHIBITOR: STUDY OF MOLECULAR DOCKING
نویسندگان
چکیده
Corona virus disease/COVID-19 is an acute respiratory infection caused by SARS-CoV-2 and has become a pandemic. COVID-19 can be prevented efforts such as physical distancing, washing hands, using masks self-isolation well regional isolation. Moringa plant that used both food medicine. The purpose of this study was to observe the activity leaf compounds in inhibiting Mpro (main protease) SARS-CoV-2. tested were Gamma tocopherol, Benzyl glucosinolate Chlorogenic acid. compound taken from pubchem, while (receptor) obtained world protein bank with PDB code 6W63. This research conducted In Silico method AutoDock Vina software for tethering process. results gridbox optimization re-tethering control ligands RMSD 0.122 . showed free energy Gibbs (ΔG) tocopherol (-6.8 kcal/mol), glucosinolat (-6.6 acid (-7.0 kcal/mol) which indicated stable inhibitory reaction against Based on Lipinski's rules, leaves qualified herbal medicines orally.
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ژورنال
عنوان ژورنال: CDA (Chimica Didactica Acta) : Journal of Chemistry and Chemistry Education
سال: 2022
ISSN: ['2338-4522', '2809-6789']
DOI: https://doi.org/10.24815/jcd.v10i1.24565