P. Sr inivasan*, A. Sudha, A. Shahul Hame ed, S. Prasanth Kumar and M. Kar thikeyan,
Department of Bioinformatics, Alagappa University, Karaikudi – 630 003
Received on: 15-09-2010; Revised on: 18-10-2010; Accepted on:13-12-2010
ABSTRACT
Hepatitis C virus (HCV) is a major cause of acute hepatitis and chronic liver disease, including cirrhosis and liver cancer. Several medicinal plants and its derivatives are experimentally tested in the treatment of this disease, but there is no unique effective drug for all HCV genotypes. Currently available drugs show the low level (~ 40%) of sustained viral response in genotype 1 patients. Non structural protein 5B (NS5B) polymerase is a RNA-dependent RNA polymerase, which is involved in the synthesis and replication of the Hepatitis C viral RNA and used as a potential target for the inhibition of HCV. The NS5B polymerase (PDB ID: 3D5M) was docked with bioactive compounds selected from the medicinal plants viz., Glycyrrhiza glabra, Bupleurum falcatum, Panax ginseng, Zingiber officinale and Phyllanthus niruri. In the present study, the compounds from these plants were analyzed for their inhibitory activity on NS5B polymerase of HCV by using Glide module. Further the results revealed that the bioactive compounds, glycyrrhizin and isoliquritin from the medicinal plants, Glycyrrhiza glabra were actively interacted the enzyme, NS5B polymerase with high docking score (glycyrrhizin: -9.664 and isoliquritin: -8.225), low binding energy (glycyrrhizin: -60.574 and isoliquritin: -50.978) and the ligand formed more number of H-bond interactions than the co-crystallized ligand.
Key words: NS5B polymerase, Hepatitis C virus, Molecular docking, Medicinal plants, Glide
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