Font Size:
STUDY OF MOLECULAR DOCKING OF VITEXIN IN BINAHONG (Anredera cordifolia (Ten.) Steenis) LEAVES EXTRACT ON GLIBENCLAMIDE- CYP3A4 INTERACTION
Last modified: 2019-09-11
Abstract
Introduction : Diabetes Mellitus is a disease that has a high prevalence in Indonesia. About 90-95% of all diabetes cases were caused by the failure or incapability of insulin target cells to respond to the insulin in normal state. The use of glibenclamide antidiabetic drugs with herbs has been occurred frequently in the community. Vitexin one of active compounds in binahong (Anredera cordifolia (Ten.) Steenis) leaves, has been known to have an antidiabetic effects. This study aimed to determine the molecular docking interaction of glibenclamide and vitexin in binahong leaves against CYP3A4 as antidiabetic drug. Method : Molecular docking methods are carried out using vina autodock software and interaction visualization using discovery studio. Results : The results of this study indicate that the value of glibenclamide complex free energy with CYP3A4 is -3.2 kcal/mol and the stability has increasing to -4.4 kcal/mol after tethered with vitexin. The glibenclamide and vitexin complexes have 7 Pi alkyl hydrophobic bonds, 1 hydrocarbon hydrogen bond 1 Pi-cation electrostatic interactions, other interactions between Pi bonds and sulfur atoms in cysteine amino acid residues, Pi bond interactions in phenylalamin aromatic groups with electron pairs oxygen atom. Conclusion : The conclusion of this study is that vitexin could improve glibenclamide stability
Keywords: Molecular docking, diabetes mellitus, glibenclamide, vitexin