Prediction of Anti-Sar-Cov-2 Activity from Chrysanthemum Cinerariifolium (Trev.) Compounds

Abstract

Coronavirus or COVID-19 is a pandemic affecting millions of people around the world. Therefore the aim of this study is to predict the potential compounds resulting from metabolite profilling UPLC QToF MS/MS ethanol extract 96% of Chrysanthemum cinerariifolium (Trev.) leaves as anti-SARS-CoV-2. The method used is molecular docking from the Molegro Virtual docker version 6.0. The selected protein targets were the SARS-CoV-2 protease and receptor (PDB: 6LU7), PD-ACE2 (PDB: 6VW1), and the Spike glycoprotein (PDB: 6LXT). Furthermore the comparative drugs used in this study were ramdesivir and chloroquine. The results showed that four compounds exhibted higher antiviral activity than the native ligands remdesivir and chloroquine. Furthermore, antiviral activity was shown by the similarity of amino acid bonds with native ligands and comparative drugs. It was predicted that the compounds in C.cinerariifolium leaves have the potential to inhibit SAR-CoV-2 development.