The Potential drug candidates against Hepatitis C virus: In silico screening of phytoconstituents from Phyllanthus fraternus G.L. Webster

Hepatoprotective compounds against hepatitis C virus from P. fraternus

Abstract

Hepatitis C is a liver inflammatory disease caused by the Hepatitis C virus. Phyllanthus fraternus G.L. Webster, commonly called Gulf leaf-flower, is an important medicinal plant and possesses hepatoprotective activity against hepatitis. Here, we have determined and characterized the active ingredients from the leaf extract of P. fraternus by gas chromatography-mass spectrometry (GC-MS) analysis. It resulted in the identification of fifteen compounds, which are the first to be reported from P. fraternus. For finding the compounds responsible for HCV, identified compounds were docked against important enzymes of HCV virus metabolism viz; HCVNS3 enzyme, HCVNS5, and hepatic damage indicator enzymes AST and ALT. To ensure drug-likeness, the pharmacokinetic, physiochemical, and toxicity properties of the compounds were also evaluated. The study has demonostrated the presence of seven hepatoprotective compounds alpha-cadinol, elemol, 1,6-germacradien-5-ol, phytol, carissanol dimethyl ether, phyltetralin and 3-furanmethanol, alpha-(3,4-dimethoxyphenyl) tetrahydro-3-hydroxy-4-veratryl- in the leaves extract of P. fraternus against the hepatitis C virus.