Insilico screening chemical compounds -glucosidase inhibitor from Cordia myxa L.

Abstract

One mechanism to maintain blood glucose level for diabetes mellitus is the inhibitor of the α-glucosidase enzyme to reduce the increased level. The research aimed to determine the chemical compound of Cordia myxa L. that can inhibit an α-glucosidase by insilico screening using the computer simulation with some docking program. The 3 D enzyme target receptor downloaded from Protein Bank Data (PDB) with 1LWJ code, and the macromolecules of a chemical compound from the sample were resulted from GC-MS analysis and optimizing the 3D conformation by. Screening of chemical compound by Autodock Vina on Pyrex Program. The results showed that 19’s chemical compounds of (Cordia myxa L.) having the value of free bonding energy (∆G) in the range of -5.3 kcal/mol to -9.3 kcal/mol, two compound with the higher ΔG value than the others are Bis (2-ethylhexyl) phthalate (ΔG -7.8 kcal/mol) and 2,2,4-Trimethyl-3-(3,8,2,16-tetramethylheptadeca, 3,7,11,15, tetraenyl-cyclohexanol) (ΔG -9.3 kcal/mol).