Ability of Secondary Metabolites from Actinomadura sp. as COVID-19 Protease Inhibitor: In Silico Method

The pandemic of COVID-19 disease in the late 2019 resulted massive screening for drug discovery purpose. However, there is still no reports about ability natural products from bacterial group class Actinobacteria as inhibitor. aim this research to identify potential compounds Actinomadura sp., member Actinobacteria, against two receptors protease with PDB ID 6LU7 and 5R7Y. eleven were docked using AutoDock Vina interaction between receptor ligands analysed LIGPLOT. most compound was simulated its stability Yet Another Scientific Artificial Reality Application (YASARA) dynamics. result molecular docking by showed that Sagamilactam become inhibitor viral it had lower binding affinity (6LU7:-12 5R7Y:-10.4) compared both native ligand (6LU7:-11.4 5R7Y:-4.6). Furthermore, low number Root Mean Square Deviation (RMSD) deviation dynamic simulations. This validated method used indicated secondary metabolites produced rare actinobacteria sp. have promising possibility inhibit protease.