Volume - 13 | Issue-1
Volume - 13 | Issue-1
Volume - 13 | Issue-1
Volume - 13 | Issue-1
Volume - 13 | Issue-1
About 180 million individuals have acquired the hepatitis C virus (HCV). Damage to the liver, including cirrhosis, hepatic decompensation, and hepatocellular cancer, may worsen over time if not properly treated. Pegylated interferon-α and ribavirin are used in the conventional treatment nowadays. Moreover, this treatment is associated with substantial side effects in individuals. To overcome this problem, we chose the plant source of Eclipta alba (L.), which treats antiviral activity. This study aims to determine the binding mode and hydrogen bond interaction of E. alba phytochemicals with the HCV NS5B polymerase enzyme. We describe Molecular docking analysis using Maestro12.7 software. Qikprop tool was used for assessing “drug-likeness” of the ligand. The binding between the NS5B polymerase protein (PDB ID: 3CJ5) and the ligand data demonstrated that most ligands formed H-bonds with residues (SER 476, TYR 477 and LEU 474) and pi-cation contacts with ARG 501. The docking score of phytoconstituents ranges from -7.561 to -5.029 kcal/mol, and reference sofosbuvir -7.541 kcal/mol. All phytoconstituents showed an excellent binding affinity against NS5B polymerase, but the best crucial score is Quercetin -7.561 kcal/mol. Quercetin stands out as a prospective drug candidate for further developing anti-HCV drugs.