Abstract

COMPUTATIONAL STUDY OF ANTIDIABETIC ACTIVITIES OF BIOACTIVE COMPOUNDS IN ZINGIBER OFFICINALE

*Ly Le

ABSTRACT

Herbal, especially Zingiberofficinale,has been reported as a source of potential medication for diabetes type 2 treatment. Even thoughZingiberofficinale function in diabetes treating was well published, there has been a lack of studies indicating association of its bioactive compounds with agents involving in diabetes. This study aims to research on the activity of certain bioactive compounds in Zingiberofficinale. In the other words, a research was conductedby a variety of computational interactions utilizing Molecular Docking and Pharmacophore between ginger compounds: 4-gingerol, 6-gingerol, 8- gingerol, 10-gingerol, 6-shogaol and β-Bisabolol and target proteins: : Glutamine fructose-6-phosphate aminotransferase (GFAT), SIRT6 (Sirtuin-6), GLUT4 (Glucose transporter type 4), 11β-hydroxysteroid dehydrogenase type 1 and Glycogen phosphorylase so as to observe hydrophobic interaction, hydrogen bonds. Indeed, they play a crucial role in stabilizing energetically favored ligands, in an open conformational environment of protein structures. In addition, Lipinski’s Rule was applied for selecting potential ligands as candidates for produce diabetes type 2 drug supporting further analysis on anti-diabetic agents ofZingiberofficinale. As a result, it can be claimed that Zingiberofficinale containing a variety of bioactive compounds that have been functional effects for diabetes type 2 treating therapy.

Keywords: Zingiber officinale, diabetes, receptor, proteins, bioactive compounds, GFAT, GLUT4, Glycogenphosphate, SIRT6, 11?-HSD1, affinity, pharmacophore, docking.