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Research Journal of Pharmacy and Technology
Year : 2018, Volume : 11, Issue : 8
First page : ( 3685) Last page : ( 3688)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2018.00676.5

Molecular Docking Studies of Selected Flavonoids on Inducible Nitric Oxide Synthase (INOS) in Parkinson's Disease

Baul H. S.1, Rajiniraja M.2,*

1Department of Biomedical Science, School of Bio-Sciences and Technology, VIT University, Vellore-632014, Tamil Nadu, India

2Department of Biotechnology, School of Bio-Sciences and Technology, VIT University, Vellore-632014, Tamil Nadu, India

*Corresponding Author E-mail: rajiniraja.m@vit.ac.in

Online published on 31 October, 2018.

Abstract

Objectives

The urgency to discover and develop drugs combating Parkinson's Disease is immense. The loss of dopaminergic neurons in Substantia Nigra Pars Compacta (SNPC) has been the main cause of PD, which occurs due to oxidative stress and neuroinflammation. Inducible Nitric Oxide Synthase (iNOS) has shown to be associated with the activation of microglia promoting neuro inflammation and oxidative stress. In our study, molecular docking analysis was carried out on flavonoids like epigallocatechin gallate (EGCG), acacetin and quercetin obtained from different plant sources to investigate their inhibitory potential and binding capability with iNOS. Molecular docking experiments were performed using Autodock Vina program. The Protein-Ligand interaction analysis showed the favorable interactions flavonoids (EGCG, acacetin and quercetin) with iNOS efficiently, among which quercetin is comparatively a strong ligand to show remarkable interactions. A potential molecular interaction of flavonoids with iNOS provides a wide scope for drug designing which aids therapeutic strategy to combat Parkinson's disease.

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Keywords

Autodock, Neuroinflammation, oxidative stress, Protein-Ligand interaction.

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