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Research Journal of Pharmacology and Pharmacodynamics
Year : 2018, Volume : 10, Issue : 1
First page : ( 8) Last page : ( 12)
Print ISSN : 0975-4407. Online ISSN : 2321-5836.
Article DOI : 10.5958/2321-5836.2018.00002.2

Molecular docking and synthesis of 1, 2, 4 -triazin analogue of diclofenac as potential ligand for parkinson's

Sudhakar P1,*, Pushkalai S Poorana2, Sabarinath C1, Priyadharshini S1, Haripriya S3

1Department of Pharmacology and Toxicology, Swamy Vivekanandha College of Pharmacy, Tiruchengode, Tamil Nadu-637 205, India

2Department of Pharmacology, Vinayaka Missions College of Pharmacy, Salem, Tamil Nadu-636 008, India

3Research Students, Department of Pharmacology, Swamy Vivekanandha College of Pharmacy, Tiruchengode, Tamil Nadu-637 205, India

*Corresponding Author E-mail: sudhakar00pharma@gmail.com

Online published on 24 May, 2018.

Abstract

Parkinson's disease is one of the most frequent neurodegenerative disorders, characterized by the progressive loss of dopamine neurons in the substania nigra pars compacta. Studies have suggested that NSAIDs may modify the risk of developing PD. Among that diclofenac is one of the most commonly used drugs associated with severe gastric toxicity. In this present study our aim was to design, molecular docking and synthesis of 1, 2, 4 triazin analogue of diclofenac as potential ligand against PD by replacing -COOH group. The targets used in this study are Dopamine receptor D3 protein, Dopa decarboxylase, Adenosine A2 receptor, and P38 map kinase, MOA-B was taken from protein data bank. The structure of the ligand was drawn in ACD/Chem Sketch 2012. Lamarckian genetic algorithm methodology was employed for docking implemented in AutoDock k4. At the end of the docking, the best poses were analysed and calculated by using Discovery studio 4.1. Results revealed that best fit of ligand against active site and the docking scores are D3 protein -6.35, DDC -6.86, AA2AR -6.11, P38 map kinase-8.67 and MAO-B -10.25. The synthesis 1, 2, 4 -triazin analogue of diclofenac showed improvement in binding affinity and potent protective effect against the risk of PD.

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Keywords

Parkinson's disease, Diclofenac, Triazin analogue, Molecular docking.

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