Screening and Molecular Docking the Bioactive Constituent of Brassica Oleraceacapitata to Confirm the Anti-Lipid Peroxidation Effect of Phytol to Resolve Peptic Ulcer

Abstract

Lipid peroxidation is one of the significant risk factors for Peptic ulcer disease. Peroxisome Proliferator-Activated Receptor Gamma (PPAR Gamma), a lipid metabolism-regulating receptor, is a substantial target for lipid peroxidation. Pioglitazone is the standard drug used for treatment. This drug has a lot of side effects, but bioactive constituents in the herbs will aid the body in its healing process. The bioactive constituents present in the plants, and their products can resolve peptic ulcers by terminating lipid peroxidation. Brassica oleraceacapitata is a leafy vegetable traditionally used to treat peptic ulcers. Gas Chromatography and Mass Spectroscopy studies have been carried out to identify the bioactive constituents in the leaves of Brassica oleraceacapitata. The Maceration method has been adopted to extract bioactive components with ethanol as an extraction solvent. The chromatogram revealed a total of 77 bioactive constituents. Developing a drug candidate with therapeutic activity is a long and tedious and expensive process. Molecular docking is a powerful tool in the field of drug discovery. Molecular docking is easy, time-saving and cost-effective in determining the binding methods and affinities and predicts the small molecule behavior in the targeted protein binding site. Phytol, an anti-oxidant identified from the ethanolic extract of Brassica oleraceacapitata, has been used as a ligand for Peroxisome Proliferator-Activated Receptor Gamma (PPAR Gamma), and molecular docking has been carried out. The glide energy of the Phytol- PPAR gamma receptor is (-40.70 kcal/mol). Our present study shows that Phytol exhibits binding affinity with the PPAR gamma receptor, which pave the way to develop a new drug from Brassica oleraceacapitata.