Antiviral Activity Of Fabaceae And Asteraceae Flavonoid Compounds Against SARS-CoV-2 On Spike Protein, Main Protease (Mpro) And RNA Dependent RNA Polymerase (RdRp) Receptors With In Silico Method

Lekal, Tresia and Kesuma, Dini and Azminah, Azminah (2023) Antiviral Activity Of Fabaceae And Asteraceae Flavonoid Compounds Against SARS-CoV-2 On Spike Protein, Main Protease (Mpro) And RNA Dependent RNA Polymerase (RdRp) Receptors With In Silico Method. Pharmaceutical Journal of Indonesia, 8 (2). pp. 849-862. ISSN 2461-114X

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Abstract

This study was conducted to analyze the antiviral activity of flavonoid compounds of Fabaceae (Clitoria ternatea, Caesalpinia sappan, Leucaena leucocephala, Indigofera tinctoria) and Asteraceae (Eclipta prostrata, Artemisia vulgaris, Blumea balsamifera, Chromolaena odorata) against SARS-CoV-2 on spike protein, Mpro and RdRp receptors by molecular docking method in silico. The results of molecular docking with AutoDock Vina showed that the flavonoid compounds semiglabrin (-7,5 kcal/mol) and pseudosemiglabrin (-7,0 kcal/mol) has binding energy better than native ligand NAG (-4,9 kcal/mol) and ceftriaxone (-6,8 kcal/mol) as a standard drug against the spike protein receptor. Flavonoid compounds juglanin (-8,5 kcal/mol) and glabratephrin (-8,5 kcal/mol) has binding energy close to the native ligand 4WI/nirmatrelvir (-8,7 kcal/mol) against Mpro receptor. Flavonoid juglanin (-9,5 kcal/mol) has binding energy better than native ligan 1RP/favipiravir (-8,3 kcal/mol) and remdesivir (-8,7 kcal/mol) as a standard drug, while flavonoid apigetrin (-8,7 kcal/mol) has binding energy better than native ligand and has the same binding energy with remdesivir as a standard drug against RdRp receptor.

Item Type:	Article
Uncontrolled Keywords:	Fabaceae, Asteraceae, Flavonoid, Molecular docking, SARS-CoV-2
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Faculty of Pharmacy > Department of Pharmacy
Depositing User:	Tresia Lekal
Date Deposited:	15 Feb 2023 02:34
Last Modified:	22 Nov 2023 08:02
URI:	http://repository.ubaya.ac.id/id/eprint/43300

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