Study of molecular docking of vitexin in binahong (Anredera cordifolia (Ten.) Steenis) leaves extract on GlibenclamideCYP3A4 interaction

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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 were carried out using Autodock Vina software and interaction was visualized using discovery studio. Results: The study indicated that the value of glibenclamide complex free energy with CYP3A4 was -3.2 kcal/mol and the stability has increasing to -4.4 kcal/mol after docked with vitexin. The glibenclamide and vitexin complexes had 7 Pi alkyl hydrophobic bonds, 1 hydrocarbon hydrogen bond 1 Pi-cation electrostatic interactions, other interactions between Pi bond and sulfur atoms in cysteine amino acid residues, Pi bond interactions in phenylalamin aromatic groups with electron pairs oxygen atom. Conclusion: This study concluded that vitexin could improve glibenclamide stability.

Original languageEnglish
Pages (from-to)1471-1476
Number of pages6
JournalPharmacognosy Journal
Volume11
Issue number6
DOIs
Publication statusPublished - 1 Jan 2019

Keywords

  • Diabetes mellitus
  • Glibenclamide
  • Molecular docking
  • Vitexin

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