食品工业科技2026，Vol.47Issue(12)：95-106,12.DOI:10.13386/j.issn1002-0306.2025060134
基于分子对接和网络药理学方法研究桑叶中的新型α-葡萄糖苷酶抑制肽
Novel α-Glucosidase Inhibitory Peptides from Mulberry Leaf Based on Molecular Docking and Network Pharmacology Approaches
摘要
Abstract
Mulberry leaves are a rich source of high-quality protein and possess the potential to yield bioactive peptides.This study identified novel α-glucosidase inhibitory peptides from mulberry leaf proteolytic products based on peptidomics identification and the structure-activity relationships of active peptides.Through molecular docking and network pharma-cology predictions,the anti-diabetic mechanisms of these novel α-glucosidase inhibitory peptides were elucidated.The re-sults indicated that two novel α-glucosidase inhibitory peptides were identified:ANSTGSRL(IC50=0.314 mg/mL)and LAKLLHSK(IC50=0.183 mg/mL).LAKLLHSK exhibited a higher content of β-sheet structure and a lower content of α-helix and random coil structures compared to ANSTGSRL.The gastrointestinal digestion process enhanced the release of α-glucosidase inhibitory activity for both peptides,achieving over 85%enzyme inhibition.Molecular docking analysis re-vealed that the two peptides tightly bound to the active residue sites of α-glucosidase(Val335,Val334,Pro230 and Gly228),primarily through multiple hydrogen bonds and hydrophobic interactions,thereby exerting their α-glucosidase inhibitory ac-tivity.Network pharmacology predictions indicated that two peptides,ANSTGSRL and LAKLLHSK,could interact with over ten key targets,including MAPK1,CASP3,STAT1,ERBB2 and AKT3.KEGG pathway enrichment analysis re-vealed that the anti-diabetic pathway associated with these peptides involves multiple complex signaling pathways,includ-ing the TNF,cAMP,PI3K-Akt,and MAPK pathways,as well as insulin resistance.In conclusion,the novel mulberry leaf peptides ANSTGSRL and LAKLLHSK exhibited strong α-glucosidase inhibitory activity and potential glucose regulation effects.This study could provide a theoretical reference for the high-value utilization of mulberry leaf protein resources.关键词
桑叶/肽/α-葡萄糖苷酶抑制活性/分子对接/网络药理学Key words
mulberry leaves/peptide/α-glucosidase inhibitory activity/molecular docking/network pharmacology分类
农业科技引用本文复制引用
王道滇,杨星莹,文娜,崔琛,李金见,李平平,杨文..基于分子对接和网络药理学方法研究桑叶中的新型α-葡萄糖苷酶抑制肽[J].食品工业科技,2026,47(12):95-106,12.基金项目
云南省农业科学院蚕桑蜜蜂研究所青年创新基金项目(QC2025001) （QC2025001）
向仲怀院士专家工作站(202305AF150166) （202305AF150166）
现代农业产业技术体系建设专项(CARS-18). （CARS-18）
