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Computational screening and evaluation of bioactive compounds against NS3 helicase of HCV
, , Kumari S., Kumari N.V.D.
Published in
2013
Volume: 5
   
Issue: 4
Pages: 370 - 376
Abstract
Objective: Hepatitis C virus (HCV) infection is a major health problem worldwide causing both acute and chronic hepatitis, cirrhosis and end-stage liver diseases. Non structural protein (NS), NS3 helicase which is necessary for HCV replication is used as the potential target for the inhibition of the HCV. The present study aims to investigate the inhibitory activities of the 24 different compounds from 11 plants against the NS3 helicase protein of HCV using computational techniques. Methods: Docking, simulation and bioactivity based screening has been applied to identify the better phytochemical(s) that can act against hepatitis. The NS3 (PDB: 1HEI) protein is docked with 24 phytochemicals of 11 various medicinal plants and subjected to the drug-likeliness and bioactivity estimation. Results: The results reveal that tinospride from, Tinospora cordifolia has shown better drug-likeliness, activity and stability. Conclusion: A number of natural antiviral compounds have been reported in the medicinal plants and tested for their efficacy in treating hepatitis. Thus by inhibiting NS3 protein one can not only prevent replication but also circumvent the problem of viral resistance.
About the journal
JournalInternational Journal of Pharmacy and Pharmaceutical Sciences
ISSN09751491
Open AccessNo