In-silico Studies of Jatropha curcas Bioactive Compounds as Anti SARS-CoV-2
ACTA SCIENTIFIC MICROBIOLOGY · 2024
COVID-19 is a disease caused by Coronavirus a new type Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) which includes a disease outbreak that began at the end of December 2019 marked by a mysterious pneumonia case of unknown etiology, starting in Wuhan, China which until now it is still a concern and has not experienced a termination of the case.Jatropha curcas L. has several secondary metabolites that have antiviral activity which can be a potential antiviral therapy for SARS-CoV-2.The purpose of this study was to determine the compounds contained in the Jatropha plant and the interactions that occur in inhibiting SARS-CoV-2 by molecular docking and molecular dynamic.The results showed that the compounds rhoifolin and stellarin-2 had physicochemical properties with large molecular weights and good pharmacokinetics and toxicity.Results docking score docking was -94.8779 against the 5R7Y receptor and then -108.2190 for stellarin-2 to the 7TLL receptor and had good stability in molecular dynamics compared to native ligands and Molnupiravir for comparison.The interactions formed were 6 hydrogen bonds in rhoifolin and 7 hydrogen bonds in stellarin-2.This shows that rhoifolin and stellarin-2 have potential as anti-SARS-CoV-2 candidates.