BIOINFORMATION STUDY OF NONI (MORINDA CITRIFOLIA) AS ANTITUSSIVE AGENT AGAINST SARS-COV-2

Abstract

Sars-Cov-2 which was first identified at the end of 2019 due to Corona Virus infection is still a worldwide pandemic because there is no specific drug that can fight this virus. Several problems, such as the performance of the vaccine that functions to relieve symptoms of Sars-Cov-2 virus infection, have sparked a new view of alternative medicine through natural ingredients as an alternative treatment for this viral infection. The chemical compound Zingiber officinale has potential as an antitussive, but its specific performance is unknown. So in this study, we will predict the molecular mechanism of chemical compounds from Zingiber officinale as a candidate for antitussive Sars-Cov-2, through an in silico approach. The samples of chemical compounds in this study were obtained from the database, then molecular docking simulations were carried out, protein-ligand interaction analysis, and 3D molecular visualization. The results showed that the drug candidate compoundsThe 1,8-cineole compound contained in Zingiber officinale is predicted as a candidate for antitussive drugs, because it has the lowest binding energy. It is recommended that the computational simulation results in this study can be used as a reference for conducting drug design through in vitro and in vivo tests.