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Eur J Med Chem. 2012 Jan;47(1):38-43. doi: 10.1016/j.ejmech.2011.10.007. Epub 2011 Oct 30.

Molecular docking of γ-sitosterol with some targets related to diabetes.

Author information

1
Division of Ethnopharmacology, Entomology Research Institute, Loyola College, Nungambakkam, Chennai 600 034, Tamil Nadu, India.

Abstract

γ-sitosterol isolated from Lippia nodiflora was taken as ligand for molecular docking. The molecular targets, glucokinase, Fructose 1, 6- bisphosphatase 1, Human multidrug resistance protein 1 and Cytochromes P450 whose crystallographic structures are available on the PDB database as 1V4S, 2JJK, 3LC4, 2CBZ respectively, were used for the docking analysis using the Autodock tool v 4.2 and ADT v1.5.4 programs. The docking studies of the ligand γ- sitosterol with four different target proteins showed that this is a good molecule which docks well with various targets related to diabetes mellitus. Hence γ-sitosterol can be considered for developing into a potent antidiabetic drug.

PMID:
22078765
DOI:
10.1016/j.ejmech.2011.10.007
[Indexed for MEDLINE]

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