DOCKING STUDIES ON COMMON PHYTOCHEMICALS PRESENT IN PUNICA GRANATUM PEEL AND VITIS VINIFERA SEEDS WITH P53Ashok Kumar K., Balachandar R., Suresh Dhanaraj, Saravanan D., Subbaiya R. and Vijayalakshmi K.Abstract Plants are the major source of traditional medicines against many diseases across the globe. They contain important secondary metabolite known as phytochemicals which provides different bioactive potentials. In this study we have analyzed the interaction of phytochemicals that are present in both Punica granatum peel and Vitis vinifera seeds against tumour suppressor protein p53. Eight bioactive compounds commonly present in both the selected plant materials 2,3- Dihydro-3,5- dihydroxy-6-methyl-4H-pyran-4-one (DDMP), alpha.-Tocopherol-beta.-D-mannoside gamma-Sitosterol, Glycerin, Guanosine, Pyragallol, palmitic acid and Ethyl palmitate respectively were selected for this in silico study. The 3D protein structure of p53 was procured from protein data bank. The chemical structures of bioactive compounds were obtained from Chemspider and drawn using Chemsketch software. This study clearly shows that Pyrogallol interacts with target protein p53 with energy level of -7.52 kcal/mol (3 hydrogen bond). The p53-MDM2 (murine double minute 2) forms interaction with pyrogallol at lowest energy level with -7.52 kcal/mol (3 hydrogen bond). The interaction of anti-oxidant and anti-cancer potential pyro gallol with p53 may play major role in providing chemo preventive property for both Pomegranate peel and Grape seeds. |