In silico Antidiabetic Characterization and ADME Studies of Nymphaea Alba and Typha Elephantina Phytoconstituents

Abstract

The study was aimed to trace out relationship between receptors playing imperative role in  occurrence of diabetes mellitus and phytoconstituents of Nymphaea alba and Typha elephantina by in silico techniques. By applying Linski’s rule of five and ADME filters, screening of all reported constituents was done. Selected constituents were further subjected to molecular docking. For tracing antidiabetic tendencies of selected ligand, six PDB’s 1IR3, 1US0, 2FV6, 20QV, 2QV4 and 5NN6 were selected for Insulin receptor (IR), AR (Aldose Reductase), PTP1 (Protein tyrosine phosphatase 1), Human Dipeptidyl Peptidase IV (DPP4), α-amylase and α- glucosidase receptors, respectively. Docking was done using Molegro Virtual Docker (MVD). Quercetin, apigenin, kaempferol and ellagic acid represent best docking results with all the six PDB’s in contrast to internal ligands. The whole study gives insight that both plants probably have antidiabetic potential due to presence of quercetin and other studied biomarkers.