ABSTRACT
Infection with the SARS CoV-2 virus has increased again at this time, so efforts need to be made to stop the virus. One of the potential plants is Saussurea costus FALC. There are two potential compounds contained in these plants, namely Saussureamine D and Saussureamine E. In the SARS-CoV-2 virus there is an enzyme that has an important role in replication, namely RNA-Dependent RNA-Polymerase (RdRp). This study aims to examine the potential of Saussureamine D and Saussureamine E as inhibitors of the RdRp of the SARS-CoV-2 virus. The method used is In Silico through a molecular docking approach. A good indicator of inhibitor quality is indicated by a very low binding affinity value. The results showed that the compound Saussureamine D produced a binding affinity value of -6.8 kcal/mol, while Saussureamine E was -6.7 kcal/mol. Based on the value of the binding affinity, the compound Saussureamine d is a compound that has a better potential to be an inhibitor of the RDRP of the SARS-CoV-2 virus. © 2023 Author(s).
ABSTRACT
The monoterpene compound has been reported to have antiviral activities . This study aimed to test the monoterpene compound in Melaleuca leucadendra to inhibit the SARS-CoV-2 virus. The monoterpenes tested were a-Pinene, beta-Pinene, Linalool, a-Terpineol, and Terpinene-4-Ol. The method used was computational through pharmacophore analysis. The indicator for the quality of the compound was the fit score. A fit score of more than 50% indicates a good-quality compound, while a fit score of less than that indicates a poor-quality compound. Based on the analysis results, the monoterpene compound in Melaleuca leucadendra can potentially inhibit the SARS-CoV-2 virus directly through the inhibition of 3C-like protease. The linalool showed a fit score of 55% with interactions of hydrophobic, electrostatic, and hydrogen bonds. All the compounds did not inhibit the metabolic process and were safe, possibly having no side effects based on ADMET analysis.