title: Molecular docking of γ-sitosterol with some targets related to diabetes.
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.
authors.affiliation: Division of Ethnopharmacology, Entomology Research Institute, Loyola College, Nungambakkam, Chennai 600 034, Tamil Nadu, India.
authors.forename: Rangachari
authors.initials: R
authors.lastname: Balamurugan
authors.forename: Antony
authors.initials: A
authors.lastname: Stalin
authors.forename: Savarimuthu
authors.initials: S
authors.lastname: Ignacimuthu
mesh_terms: D019295:Computational Biology; D003920:Diabetes Mellitus / Q000188:drug therapy* / Q000201:enzymology / Q000378:metabolism*; D006801:Humans; D007004:Hypoglycemic Agents / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology* / Q000627:therapeutic use; D008958:Models, Molecular; D011487:Protein Conformation; D012855:Sitosterols / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology* / Q000627:therapeutic use
chemical_list: D007004:Hypoglycemic Agents; D012855:Sitosterols; C025473:gamma-sitosterol