IDENTIFICATION OF POTENTIAL ACTIVITY OF VOLATILE COMPOUNDS DERIVED FROM POGOSTEMON CABLIN BENTH AS ANTIVIRAL OF SARS-COV-2

Objective: Coronavirus disease-19 (COVID-19) is global pandemic which caused by SARS-CoV-2 infection. Mechanism of infection initiated attachment between viral glycoprotein with ACE2 receptor in human cells. Furthermore, Indonesia had a massive diversity plants high potency drugs, such as Pogostemon cablin Benth. In brief, it contained various volatile compounds many therapeutic properties. Therefore, this research aimed to identify the ability from Benth potential inhibitor spike glycoprotein. Methods: SMILE notation 22 were collected PubChem and 3D structure (PDB ID: 6VXX) was obtained PDB database. Simulation interaction compound conducted using Pyrx molecular docking. Moreover, complex compounds-glycoprotein depicted Chimera amino acid residue analysed LigPlot. Selected identified for biological activity prediction, drug-likeness, toxicity analysis. Results: Analysis showed that among those compounds, only caryophyllene oxide (-6.3 kcal/mol) naturally bind specific into RBD site compared control. comparable hydrogen hydrophobic interactions Further analysis has strong function antiviral low toxicity. Conclusion: Caryophyllene considered promising candidate inhibited through