Identification of lead compounds against human hepatitis B viral capsid protein in three medicinal plants through in silico method
Journal Title: IOSR Journal of Pharmacy and Biological Sciences (IOSR-JPBS) - Year 2016, Vol 11, Issue 3
Abstract
Hepatitis B viral infection is a serious health problem in all over the world and its treatment is expensive with limited success (30-40%. The current treatment system may induce serious side effects. It is well acknowledged that plant-derived drug molecules are safe and cost effective. In traditional medicine several plants have been used as hepatoprotective but its efficacy and mode of molecular mechanism of drug action are seldom investigated. In the present investigation, 92 phytochemicals from three plant species viz., Allamanda cathartica L., Solanum indicum L. and Vigna mungo L., which have been used as hepatoprotective plants in Indian traditional systems of treatment, were docked with the HBc protein. The structures of phytochemicals were procured from open access databases or drawn using MarvinSketch and 3D structure of the target protein, HBc was downloaded from protein data bank (PDB ID: 1QGT). Docking was carried out in AutoDock 4.2 and the results indicated that all the three plants have anti-hepatitis B activity and among the three plants the most potential lead molecule; carpesterol was identified from Solanum indicum.
Authors and Affiliations
Subin Mathew M S1, Sreekumar S2, Biju C K3
Keywords
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