Docking of a Cyperus rotundus compound ‘15-Hydroxy-4-oxo-10-pentadecynoic acid lactone’ with antidiabetic drug targets: A comparative study

Abstract

yperus rotundus L. or Mustaka or Motha is a medicinal herb that grows as a turf grass in the sandy or loamy soils of the tropical and subtropical parts of the world. It belongs to the plant family Cyperaceae. The grass is widely known for its antioxidant, anti-inflammatory, anti diabetic and immune modulating properties.

The present study explores the antidiabetic potential of a particular compound, ‘15-Hydroxy-4-oxo-10-pentadecynoic acid lactone’obtained by GCMS study, via a series of docking experiments, and ADMET studies.
It unravels the several ligand-target interactions that should possibly contribute to this property, and systematically compares it with the binding energy scores of commercial antidiabetic compounds such as metformin and gliclazide.