Inhibitory Potentials of Phytoconstituents of Phyllanthus amarus against Severe Acute Respiratory Syndrome-Corona Virus-2 Main Protease: A Computational Aided Approach

In 2019, a new strain of Coronavirus disease was identified in Wuhan, China. Specific therapies are unavailable and investigations regarding treatment lacking. The present study aimed to assess bioactive compounds found medicinal plant Phyllanthus amarus as potential main protease inhibitors, using molecular docking study. Molecular performed Autodock 4.2. docked with several compounds, analysed by 4.2, Lopinavir used standard for comparison. binding energies obtained from the 6LU7 native ligand, lopinavir, Phyllanthin, Hypophyllanthin, Hexanedioic acid, bis (2-ethylhexyl) ester, Benzeneethanamine,3,4-dimethoxy-n-((pentafluoro phenyl) methylene), Phenethylamine, 2-methoxy-alpha.-methyl-4,5-(methylenedioxy), Diisooctyl adipate, P-Tert-Octylresorcinol, 4-methyl-2,5-dimethoxy phenethylamine, 3-(2,4-dimethoxy-phenyl)-2-formylaminopropionic ethyl Rutin, Quercetin Niranthin were -6.08, -4.44, -4.14, -2.32, -4.23, -4.07, -2.5, -4.66, -3.38, -7.46, -6.28 -4.62 kcal/mol, respectively. Therefore, lopinavir may represent option Rutin appeared have best act inhibitors. Thus all shown significant energy potent inhibitory effect against protease. However, further research is necessary investigate their use.