SCREENING AND IDENTIFICATION OF NOVEL INHIBITOR FOR IL-1Β INVOLVED IN CORONARY ARTERY DISEASE
Priyanka D. Choudhari
Department of Biotechnology, Walchand College of Arts and Science, Solapur
Yogesh N Joshi
Department of PG studies in Bioinformatics, Walchand College of Arts and Science, Solapur. Maharashtra, India-413005
Vinod P. S
Department of PG studies in Bioinformatics, Walchand College of Arts and Science, Solapur. Maharashtra, India-413005
Receiving Date:
2016-04-09
Acceptance Date:
2016-05-10
Publication Date:
2016-06-03
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Abstract
The deadliest disease in the world is the coronary artery disease (CAD). World Health Organization
(WHO) estimates that about 7.3 million people died of ischemic heart disease in 2012. In CAD,
Inflammation also participates in all stages of local, myocardial and systemic complications of
atherosclerosis. However, Interleukin (IL-1β) represents one of the most important mediators of
inflammatory response that induces a cascade of proinflammatory effectors molecules. IL-1β may
enhance atherogenesis and exacerbate left ventricular dysfunction is by contributing to endothelial
dysfunction. In the present study, Curcumin (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene3,5-dione also known as diferuloylmethane, is the main ingredient of turmeric with regard to its antiinflammatory action, curcumin was reported to downregulate the secretion of prominent cytokines, like
TNFα , IL-1β and IL-6. Curcumin natural inhibitor was retrived from Pubchem database and designed
new lead with its analogues by bioinformatics virtual screening methods. Further, drug lead molecules
were evaluated for their drug likeness using “Lipinski rule of five” and pharmacokinetic and ADME
Toxicity properties. In molecular docking studies curcumin derivative showed the better binding energy
with the target protein. The In silico approach can be appropriate to develop new drug lead molecules
against IL-1β in CAD.
Keywords:
Coronary Artery Disease, IL-1β, Curcumin, Molecular Docking, Lipinski 5 Screening and In silico.
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