Saeful Amin¹*, Widia Danisa Nurul Huda¹, Winda Trisna Wulandari¹ and Salsabila Adlina²

¹Department of Pharmacy, Bakti Tunas Husada University, Indonesia
²Department of Pharmacy, Perjuangan University, Indonesia

*Corresponding Author:Saeful Amin, Department of Pharmacy, Bakti Tunas Husada University, Indonesia.

Received: June 11, 2024; Published: July 20, 2024

Abstract

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.

Keywords: Jatropha; Molecular Docking; Molecular Dynamic; Rhoifolin; SARS-CoV-2; Stellarin-2

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Citation

Citation: Saeful Amin., et al. “In-silico Studies of Jatropha curcas Bioactive Compounds as Anti SARS-CoV-2".Acta Scientific Microbiology 7.8 (2024): 53-69.

Copyright

Copyright: © 2024 Saeful Amin., et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.