ISOLATION, STRUCTURAL CHARACTERIZATION AND IN SILICO DRUG-LIKE PROPERTIES PREDICTION OF NATURAL COMPOUNDS FROM THE HYPOGLYCEMIC BIOACTIVE FRACTION OF PORTULACA OLERACEA L. SEDES

Abstract

Natural products have an important role in drug discovery since it serves as drugs as well as templates for synthesis of new therapies. The objective of this study is to isolate, natural compounds from Portulaca oleracea seeds using a bio-guided protocol based on in vivo evaluation of treated Streptozotocin-induced diabetic rats and histopathological examination. All the isolated compounds were investigated using in silico molecular docking with several enzymes and receptor protein targets. The most bioactive fraction was chromatographed to yield three major compounds; oleracein A methyl ester and hylocerenin; that separated for the first time from the species of P. oleracea and oleracerebroside that is newly identified from the seeds. Molecular docking indicated that the compounds could bind to the active site properly in comparison to the reference ligand. Based on the results, it can be concluded; the isolated natural compounds may be used as a potent therapeutic agent.