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

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. γ-sitosterol isolated from Lippia nodiflora was taken as ligand for molecular docking. The molecular targets from PDB database 1V4S, 2JJK, 3LC4, 2CBZ were used for the docking analysis using Autodocktool. [Display omitted] ► γ-sitosterol isolated from Lippia nodiflora was subjected to docking analysis. ► The docking studies of γ-sitosterol with 4 target proteins related to diabetes mellitus (PDB ID: 1V4S, 2JJK, 3LC4, 2CBZ). ► The docking studies of γ-sitosterol showed good result. ► The vet lab study using STZ- Induced male wistar rats also proved that γ- sitosterol can be developed as potent drug.