Molecular Docking Study of Active Compunds in Ginger as Inhibitor Against Covid-19

Abstract

Molecular docking of the active compounds of ginger (Zingiber officinale) has been successfully carried out. This study aims to examine the potential inhibitor of ginger's main active compounds in spike proteins on the COVID-19 virus. A total of 4 main active compounds in ginger, namely alpha-Curcumene, alpha-Farnesene, beta-Sesquiphellandrene, and Zingiberen, were studied individually for molecular docking of spike proteins in the Covid-19 virus. The results obtained were compared with the native ligand 7a94 extracted from the protein database. Molecular docking was also carried out on the combination of these active compounds. The results of this docking study indicate that -Curcumene, -Farnesene, -Sesquiphellandrene, and Zingiberen have a higher affinity than the native ligands. Combinational docking -Curcumene, -Farnesene, -Sesquiphellandrene, and Zingiberen against spike protein COVID-19 virus has a better affinity of -59.567 kcal better than native ligands of -50.053 kcal. The results of this study indicate that the main active compounds in ginger and their combination has the potential to inhibit the COVID-19 virus activity in the human body.