Glucosinolates With Their Hydrolysis Products from Two Cruciferous Plants with Study of Antidiabetic Activity Based on Molecular Docking

Abstract The glucosinolates (Gls.) are natural bioactive compounds which lead to the formation of different metabolites called isothiocyanates(ITC) having various therapeutic effects. So, this study aim to isolate the glucosinolates of both Carrichtera annua L.(DC) (CA) and Farsetia aegyptia Turra (FA) belonging to Crucifereae family. The total Gls. were isolated from the aqueous methanolic extract of both plants and further purified on acidic aluminum oxide column. Some of the obtained Gls. was identified as it is using different spectroscopic measurements (UV, NMR and MS) and the rest were hydrolyzed using myrosinase enzyme to the corresponding isothiocyanates (ITC) which were identified by GC/MS. only one glucosinolate was identified in CA as: 4-methylthio-3-butenyl Gls ( MTBG). through chromatographic and spectroscopic measurements in addition to 6-methyl sulfonylhexyl isothiocyanates(ITC), while 6-methyl sulfonyl-6-hydroxy hexyl ITC, 4-pentenyl ITC, 3-Methylthio propyl ITC, 5-hydroxy pentyl ITC and 4-methylsulphinyl butyl ITC from FA. The docking study targeted a α-glucosidase and amylase, to examine a mode of action of the 4-methylthio-3-butenylglucosinolate. Molecular docking was performed to identify potency of Gls. against hyperglycemia. The data obtained revealed that the Gls. has high binding activity Via α-glucosidase and amylase. Furthermore, further Drug studies as likeness and ADME/T were performed, which proposed that their ligands may be have a good pharmacokinetic character, with no carcinogenesis effect.