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OJBTM

Online Journal of Bioinformatics 

Volume 17(2):96-104, 2016.


In silico docking of curcumin inhibitor with α-Glucosidase in type 2 diabetes.

 

Sanjeeva Prasad Tarigopula.

 

Department of Zoology, Sri Krishnadevaraya University, Anantapur, Andhra Pradesh,

 

ABSTRACT

 

Tarigopula SP., In silico docking of curcumin inhibitor with α-Glucosidase in type 2 diabetes, Onl J Bioinform., 17(2):96-104, 2016. α-Glucosidase catalyzes degradation of diet polysaccharides to absorbable monosaccharide and therefore its inhibition could delay postprandial hyperglycemia in type 2 diabetes. We describe model docking for potential natural inhibitors of α-Glucosidase such as curcumin. Homology modeling of human α-Glucosidase was performed using crystal structure of 2QLY created by Modeller software. The model was refined after energy minimization validated by Errat procheck and verify 3D graph programs. The stable structure was then docked with curcumin and its derivatives of natural compounds selected from the literature. ILE19, LEU20, PRO22, ALA23, MET25, ASP26, TYR29 and ARG61 of α-Glucosidase were bound to inhibitors by strong hydrogen interaction and the results suggested that TYR77, VAL78, ASN82, ILE83, GLU102 residues in α-Glucosidase were also involved in hydrogen bonding contributing to stability of the complex. A curcumin derivative (34) showed best docking result with α-glucosidase.

 

Key words: Curcumin, Alpha glucosidase, modeling and docking.


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