文献类型：期刊文献

英文题名：The Discovery and Characterization of a Potent DPP-IV Inhibitory Peptide from Oysters for the Treatment of Type 2 Diabetes Based on Computational and Experimental Studies

作者：Chen, Zhongqin[1,2,3];Su, Xiaojie[1,2];Cao, Wenhong[1,2,3];Tan, Mingtang[1,2,3];Zhu, Guoping[2,3];Gao, Jialong[2,3];Zhou, Longjian[1,2,3]

机构：[1]Guangdong Ocean Univ, Shenzhen Inst, Shenzhen 518120, Peoples R China;[2]Guangdong Ocean Univ, Coll Food Sci & Technol, Guangdong Prov Engn Technol Res Ctr Seafood, Guangdong Prov Engn Technol Res Ctr Prefabricated, Zhanjiang 524088, Peoples R China;[3]Dalian Polytech Univ, Collaborat Innovat Ctr Seafood Deep Proc, Dalian 116034, Peoples R China

年份：2024

卷号：22

期号：8

外文期刊名：MARINE DRUGS

收录：SCI-EXPANDED(收录号：WOS:001305201800001)、、Scopus(收录号：2-s2.0-85202626319)、WOS

基金：This research was funded by Guangdong Basic and Applied Basic Research Foundation, grant number 2021A1515110621; Guangdong Basic and Applied Basic Research Foundation, grant number 2024A1515011763; the National Natural Science Foundation of China, grant number 32201971; the Zhanjiang Marine Youth Talent Innovation Project, grant number 2022E05010; the Science and Technology Plan Project of Zhanjiang City, grant number 2021E05017; the Program for Scientific Research Start-Up Funds of Guangdong Ocean University, grant numbers 060302042007 and 060302042201; and the Innovative Team Program of High Education of Guangdong Province, grant number 2021KCXTD021.

语种：英文

外文关键词：oyster peptides; DPP-IV; type 2 diabetes; network pharmacology; molecular docking; molecular dynamics simulation

外文摘要：The inhibition of dipeptidyl peptidase-IV (DPP-IV) is a promising approach for regulating the blood glucose levels in patients with type 2 diabetes (T2D). Oysters, rich in functional peptides, contain peptides capable of inhibiting DPP-IV activity. This study aims to identify the hypoglycemic peptides from oysters and investigate their potential anti-T2D targets and mechanisms. This research utilized virtual screening for the peptide selection, followed by in vitro DPP-IV activity assays to validate the chosen peptide. Network pharmacology was employed to identify the potential targets, GO terms, and KEGG pathways. Molecular docking and molecular dynamics simulations were used to provide virtual confirmation. The virtual screening identified LRGFGNPPT as the most promising peptide among the screened oyster peptides. The in vitro studies confirmed its inhibitory effect on DPP-IV activity. Network pharmacology revealed that LRGFGNPPT exerts an anti-T2D effect through multiple targets and signaling pathways. The key hub targets are AKT1, ACE, and REN. Additionally, the molecular docking results showed that LRGFGNPPT exhibited a strong binding affinity with targets like AKT1, ACE, and REN, which was further confirmed by the molecular dynamics simulations showcasing a stable peptide-target interaction. This study highlights the potential of LRGFGNPPT as a natural anti-T2D peptide, providing valuable insights for potential future pharmaceutical or dietary interventions in T2D management.