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DOCKING STUDIES ON POLYPHENOLS DERIVATIVES WITH INSULIN RECEPTOR TYROSINE KINASE - AN INSILICO APPROACH

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Abstract (2. Language): 
Objective: Diabetes mellitus, a leading non-communicable disease with multiple etiologies is considered as one of the five leading causes of death in the world. Compounds isolated from plants are safer and have a lot of potential than the chemical drugs. Experimental studies on animals or cultured human cell lines support the role of polyphenols in the prevention of cardiovascular diseases, cancers, neurodegenerative diseases, diabetes and osteoporosis. Polyphenols strongly has a role in the prevention of degenerative diseases. Flavonoids are the best defined group of polyphenols in the human diet. Flavonoids are widely distributed in plants fulfilling many functions. In the present study polyphenols are used as targets against the diabetic receptors. Docking was performed to study the interaction of polyphenols with Insulin Receptor Tyrosine Kinase meant to be a target for diabetes. Cyanidine, myricetin, catechin, quercetin and daidzein were chosen for the study. The molecular structure was taken from PubChem database. The 3D structure of the protein was obtained from PDB databank. Using these structures docking analysis was performed using Glide tool in Schrodinger software.The polyphenols showed a good interaction proving to be a good activator of the receptor molecule. Among the selected polyphenols cyanidine was found to interact with the protein receptor with a glide score of -7.568 and glide energy of -41.199. The docking method explores the ability of polyphenols that bound to the active binding site shows that the inhibitors are the best binder. Through the present study we conclude that polyphenols can be useful as therapeutic agent for the herbal therapy of diabetes.
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