Vol. 8, Issue 10 (2019)
in silico antidiabetic activity of bioactive compounds in Ipomoea mauritiana Jacq
Ranjith D and Viswanath S
In the present study molecular interactions of 15 bioactive compounds in Ipomoea mauritiana Jacq viz., taraxerol, taraxerol acetate, beta-sitosterol, scopoletin, dodecanoic acid/ lauric acid, chloroacetic acid, tetradecanal/myristaldehyde, tetradecanoic acid/ Myristic acid, hexanoic acid/Palmitic acid, octadec-1-ene, octadecan-1-ol, octadecanoic acid/stearic acid, octacosane, nonacosane, tetracosane against diabetic targets namely Glutamine: Fructose – 6 -Phosphate Amidotransferase (GFAT, PDB ID - 2ZJ3) and Peroxisome proliferator activated receptor- gamma (PPARs PDB ID – 3G9E) were assessed. Molecular docking studies were performed using ArgusLab docking software 4.0.1 respectively. The docking studies of multifarious ligands with the target proteins showed good inhibitory activity, amongst the compounds screened sitosterol beta (Binding energy; 2ZJ3: -12.02 kcal/mol, 3G9E: -12.55 kcal/mol), taraxerol (Binding energy; 2ZJ3: -9.93 kcal/mol, for 3G9E: -13.70 kcal/mol) and taraxerol acetate (Binding energy; 2ZJ3: -11.58 kcal/mol, 3G9E: -13.12 kcal/mol). Sitosterol beta has shown maximum inhibition for 2ZJ3 protein whereas taraxerol shown maximum inhibition for 3G9E protein, both these phytocompounds can be further subjected to fractionation and isolation to confirm their activity towards in vitro and in vivo studies and can be commercialized as a potent antidiabetic agents.
How to cite this article:
Ranjith D and Viswanath S. . The Pharma Innovation Journal. 2019; 8(10): 05-11.