The Molecular Docking and Dynamic Analyses of 3',5-Dihydroxy- 4',6,7-Trimethoxyflavanone, Isovitexin-2'-O-Rhamnoside, Solafuranone, (R)-5,3'-Dimethyl hesperidin, Phloretin 3',5'-Di-C -glucoside, Isomargaritene, Margaritene and Clemomandshuricoside B for Potential COVID-19 Therapy

Authors: Durmuş Burak Demirkaya, Mehmethan Yıldırım and Serap Yalcin*

DOI: 10.23880/vij-16000326

Volume 7, Issue 3

Abstract

Covid-19 (SARS-CoV-2), a new type of coronavirus, first appeared in the Chinese city of Wuhan in December 2019 and has become the main cause of the pandemic today. Although molecular studies continue, vaccination studies are not sufficient. In this Covid-19 process, which provides further increase in antiviral drug discoveries, we perform ligand-protein interactions in order to find an antiviral active substance with this study, Autodock. We present the analyzes based on the comparison of 8 different ligands(3',5-Dihydroxy-4',6,7-trimethoxyflavanone, Isovitexin-2'-O-rhamnoside, Solafuranone, (R)-5,3'-Dimethyl hesperidin, Phloretin 3',5'-Di-C-glucoside, Isomargaritene, Margaritene and Clemomandshuricoside B) based on the 6LU7 protein. It was observed that the molecules were bound by interacting with the main protease of Covid-19. Thus, we aim to be a reference with you in this article for further studies that enable ligands to create drug potential. Our results will serve as a reference for this molecular docking study.

Keywords: 6LU7; SARS-CoV-2; Inhibitor; Molecular Docking; Molecular Analysis

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