Studies on Molecular Docking of Moringa Oleifera Leaf Phytochemical Constituents on Alpha Glucosidase, Alpha Amylase and Dipeptidyl Peptidase

Abstract

Moringa oleifera leaf have been used for treatment of diabetes, in this work we studied pancreatic gene expression, trace elements, enzymatic antioxidants, kidney injury biomarkers in streptozocin induced diabetic rats treated with M. oleifera leaf powder and molecular ducking of M. oleifera leaf ethanolic, ethyl acetate, hexane and aqueous extracts phytochemicals into protein bank, focusing on the ligands that possesses inhibitory affinity closer to the co-crystalline ligands of alpha amylase, alpha glucosidase and dipeptidyl peptidase-4, for detection of active polyphenols that aid glucose reduction. Molecular docking methods used for predicting binding modes to proteins and energies of ligands [1]. Using the Autodock vina program compiled under Ubuntu 14.04 LTS, the compounds were docked into the target protein to get the respective binding affinity. The proteins were viewed on pymol to show the amino acid sequence and the co-crystallized ligandsStevioside Stigmaste, γ-Sitosterol and Campesterol has affinity energy (-6.893,-5.500, -5.294, -5.260) respectively, close to the co-ligand of α-amylase (-7.811). 2-Butyloxycarbonyloxy-1 has affinity energy (-5.583) closer to the co-ligand of DPP-4 (-6.102). Butanoic acid has affinity energy (-4.239) close to the co-ligand of α-glucosidase (-6.488). Ethanolic and ethyl acetate extract contains 24 compounds; hexane extract contains 22 compounds while aqueous extract contains only 6 compounds.

A review on phytochemical and pharmacological facets of tropical ethnomedicinal plants as reformed DPP-IV inhibitors to regulate incretin activity

“…According to the data, the leaf extract of Moringa oleifera was considered one of the potential candidates with significant antihyperglycemic activity, particularly in the ethanol and ethyl acetate extracts (93). Recent findings suggested that the extracts successfully reduced the blood glucose levels, increased the insulin levels, decreased the inflammatory cytokines and HOMA-R values, and improved the PPAR gamma levels.…”

Extraction, identification and molecular docking studies evaluation of Momordica tuberosa (Roxb) against Anopheles

“…These bioactive compounds specifically bind to the active site of the enzyme and it may inhibit the enzyme action so it's directly inhibited the disease-causing mosquito development. This kind of study, phytochemical against enzyme inhibition done by various groups, Nwakulite groups describe the co ligands inhibits the amylase activity and control the glucose metabolism (26) . Fatema R. Saber group studied the phytochemical interaction with active site amino acid residue of BChE and ACE enzymes by a mixture H-bonding, and hydrophobic forces (27) .…”