19 Molecular Docking Analysis of Volatile Compounds from Fraction of Eichhornia crassipes Herbs Ethanol Extract As α-Glucosidase Inhibitor

Abstract

Diabetes mellitus is a degenerative disease characterized by an increase in blood sugar (hyperglycemia).Inhibiting it will prevent the uptake of glucose in the plasma. One of the plants that can be usedas antidiabetic is E. crassipes herbs. This research aims to know the interaction between volatilechemical compounds from ethyl acetate fraction and ethanol fraction of ethanol extract of E. crassipesherbs with the α-glucosidase enzyme. This study used ethanol extract of E. crassipes herbs with avariation of ethyl acetate fraction and ethanol fraction then analyzed the fraction using GC-MS (GasChromatography-Mass Spectroscopy). The ethyl acetate fraction contained 2-pyridine-propanoicacid, alpha.-methyl-.beta.-oxo-,Ethyl ester;1-propanol-1-di; carbamic acid, methyl ester; acetic acid,aminooxy-, hydrazide; (2R) - [2-2H2] glycine methyl ester hydrochloride. The ethanol fractioncontained semicarbazide hydrochloride; carbonic dihydrazide; hydroxy-acetaldehyde; 1-propanol-1-di; acetic acid, and hydroxyl. The result of docking with the α-glucosidase enzyme is 2-pyridinepropanoicacid, alpha.-methyl-.beta.-oxo-, the Ethyl ester of the ethyl acetate fraction having ΔG is-4.14 Kcal/mol. Semicarbazide hydrochloride from the ethanol fraction has ΔG of -3.17 Kcal/mol.Keywords: Diabetes mellitus, docking molecular, (Eichhornia crassipes (Mart.) Solms Herbs, ethylacetate fraction, α-glucosidase enzyme.