Anti-Inflammation Prediction of Orthosiphon Stamineus Extract Against Covid19 (In Silico Study)

Abstract

Orthosiphon stamineus Benth (OS) due to its anti-inflammation effect is one of the possible options to fight the outbreak of coronavirus disease in 2019 (COVID-19). In this article, we evaluate in silico (molecular docking) properties of active compounds available in OS which is generally consumed by south east asian people and compare its effect with remdesivir and favipiravir as positive compounds based on docking properties. The main active compounds were grouped based on their major roles in OS. The results demonstrated that most of the studied main compounds perform better than selected drugs in inhibition of the spike protein in COVID-19. According to the combined scores in binding affinity, the drug-likeness properties of the ligand, revealed to be the best possible covid19 inhibitor as compared to the other ligands. The analysis of active site also demonstrated that OS active compounds may have the therapeutic effect against COVID19.