摘要
Eleutherococcus sessiliflorus fruit(ESF),a wild botanical resource with hypoglycemic and hypolipidemic potential,serves as a promising natural source for developingα-glucosidase(α-Glu)and pancreatic lipase(PL)inhibitors to manage metabolic disorders,primarily in nutraceutical and functional food.An integrated strategy was devel-oped for the rapid screening ofα-Glu and PL inhibitors from ESF in this study.Firstly,comprehensive annotation of 90 ESF compounds via mass defect filtering(MDF),diagnostic product ions(DPIs),neutral loss(NLs),and database matching analysis.Secondly,affinity ultrafiltration(AUF)coupled with UHPLC-Q-Orbitrap HRMS screened 28 potentialα-Glu and 24 potential PL inhibitors.Following this,molecular docking simulations were performed to prioritize candidate inhibitors based on computational criteria,including a binding energy threshold of less than6.0 kcal/mol and an analysis of key interactions,such as hydrogen bonds.Finally,five main compounds(20,41,48,73,76)were selected as the most promising candidates for further evaluation of enzymatic activity and content determination in ESF.Among them,chiisanoside and chlorogenic acid demon-strated dual inhibitory activity against bothα-Glu(IC_(50)=0.89±0.16 and 1.19±0.03 mg/mL)and PL(IC_(50)=1.14±0.21 and 1.41±0.02 mg/mL),and were also quantified as abundant compounds in ESF.By establishing an integrative strategy that links phytochemical analysis to bioactive compound screening,this study elucidated the hypoglycemic and hypolipidemic potential of ESF,thereby promoting its development as a functional food resource.
基金
supported by the National Natural Science Foundation of China(Nos.82174235 and 81773694).
