Monday , 10 May 2021

Neuro protective Study of Withania somnifera Dunn. by an In Silico Approach

Sharmila K1, Mumtaj P2, Vijaya Parthasarathy3*
1Research Scholar, Department of Biotechnology, Mohammed Sathak college of Arts and science, Sholinganallur, Chennai.
2Asst. Professor, Department of Bioinformatics, Mohammed Sathak college of Arts and science, Sholinganallur, Chennai.
3Associate Professor, Department of Nanoscience and Technology, Bharathiar university, Coimbatore.

Parkinson’s disease is a progressive neurodegenerative condition resulting from the death of the dopamine containing cells of the substantia nigra. In this present study the neuroprotection was studied by root tuber ethanolic extracted compounds of Withania somnifera Dunn. to inhibit the protein DJ1 by using in silico approach. The structures of ligands were downloaded from pubchem and converted into pdb files in docking server. The docking scores of DJ1 with Episilon cadinene, Oleic acid, Pyrogallol, 2, 3 dihydroxypropyl N- (8- (Trifluoromethyl)-4- Quinolyl) anthranilate, Pentadecanoic acid, showed significant interaction with active binding residues. The results of the present study may provide useful insights for developing new neuroprotective drugs. This information can be used for structure and pharmacophore based new drug designing for development of novel therapeutic agents for the prevention and treatment of Parkinson disease.
Keywords: Parkinson’s disease, substantia nigra, Withania somnifera, DJ1 Protein, Pubchem.

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