World Journal of
Pharmaceutical and Life Sciences

INSILICO DESIGN AND MOLECULAR DOCKING STUDIES OF NOVEL PYRIDINE DERIVATIVES AS PPAR GAMMA AGONISTS

Shiny George*, Ashly Tom, Christeena Paulose, Pooja S. Panicker, Sreemol S., Veenamol K.S. and A. J. Chacko

ABSTRACT

Molecular docking is one of the best data – based screening methodology of virtual screening for ligand which minimized the works cost by filtering and also helps to predicted the toxicity study for designing the formulation or synthesis of New Chemical Entity in now a day of pharmaceutical research developments. The heterocyclic compounds are widely distributed in nature and they were found to possess various physiological activities. Pyridine and related fused heterocycles are of interest as potential bioactive molecules. The present work has focused on incorporation of pyridine and tetrazole and evaluate its PPAR ? agonist effect. PPAR ? nuclear receptor agonist are therapeutically used to combat hyperglycaemia associated with the metabolic syndrome and type 2 diabetes. A new series of pyridine tetrazole derivatives were designed as PPAR gamma agonits based on docking studies and oral bioavailabity scores based on Lipinski’s rule evaluation. Insilico molecular docking was carried out using ArgusLab. To identify the potential anti-tubercular lead compounds among compounds docking calculation were performed into the 3D structure of the catalytic site of PPAR ? enzyme (pdb code:3SZ1). Docking score of the novel compound showed good fit with 3SZ1when compared with standard drug rosiglitazone.

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