Main Article Content
Abstract
Aim
Evaluation of cholesterol absorption inhibitory activity of phytoconstituents present in Solanum trilobatum Linn using in silico docking study.
Methodology
The software Molegro Virtual Docker and tools were used for molecular docking v 6.0 along with Graphical User Interface, calculate dock score and evaluate conformers. Molegro virtual docker is a discriminatory programme to predict ligand interactions.
Results
The presence of twelve phytochemical constituents from ethanolic extract and aqueous extract were identified by GC- MS. These components undergone in-silico molecular docking studies using enzyme transport protein. The lead compounds were selected through the docking score. The compounds of ethanolic extract such as 5,5’-propylenebis[(1H-1,2,4-triazol-3-yl)amine] (-109.174); Benzeneaceticacid, 2-hexenylester, (E)- (-102.673); Ethanol, 2-(9-octadecenyloxy)-,(Z)- (- 100.125) and the compounds of aqueous extract like Oxirane, [(dodecyloxy) methyl] (- 109.374); 13- tetradecenal (-108.323); 3,5-dimethyl benzaldehyde thiocarbamoyl hydrazine (- 100.864). Each extract have been shown three lead compounds from insilico molecular docking using standard atorvastatin (-104.402).
Conclusion
Further investigations on the above phytochemical constituents and in-silico molecular docking study are necessary to develop potential chemical entities for the prevention and treatment of anti-hyper cholesterolemia.