基于In Silicon模拟消化的北极虾DPP-Ⅳ抑制肽活性分析  

Analysis of activity of Arctic shrimp DPP-Ⅳ inhibitory peptide based on In Silicon simulated digestion

作　　者：刘浩思 徐春明[1] 田源 韩爱萍 刘孝飞 李振华 LIU Haosi;XU Chunming;TIAN Yuan;HAN Aiping;LIU Xiaofei;LI Zhenhua(School of Light Industry Science and Technology,Beijing Business University,Beijing 100048;Beijing Rose Diary Biotechnology Co.,Ltd.,Beijing 100024;Beijing Youji Era Technology Co.,Ltd.,Beijing 100024)

机构地区：[1]北京工商大学轻工科学技术学院,北京100048 [2]北京玫瑰日记生物科技有限公司,北京100024 [3]北京有肌时代科技有限公司,北京100024

出　　处：《中国食品添加剂》2024年第1期127-135,共9页China Food Additives

摘　　要：北极虾具有很高的营养价值,在食品领域已引起越来越多的关注。对北极虾蛋白进行In Silicon模拟消化获得寡肽,通过PeptideRanker活性评分及理化性质分析,从中筛选出具有潜在生物活性的寡肽。使用ToxinPred分析和BIOPEP-UWM生物活性预测,发现部分寡肽具有二肽基肽酶-Ⅳ(dipeptidyl peptidase-Ⅳ,DPP-Ⅳ)抑制活性,最终确定WFP(一种三肽,Trp-Phe-Pro)具有最优的DPP-Ⅳ抑制活性肽。分子对接表明,WFP和DPP-Ⅳ能够形成稳定的复合物,其结合能为-6.93 kcal/mol,进一步研究表明,WFP通过与DPP-Ⅳ S1、S2、S3三个活性口袋中的9个氨基酸残基发生相互作用而抑制其活性。本研究为阐释北极虾营养价值及生物活性肽的开发提供了理论依据。Arctic red shrimp has high nutritional value and has attracted more and more attention in the food field.Oligopeptides were obtained by In Silicon simulated digestion of Arctic red shrimp protein.Oligopeptides with potential biological activity were screened out based on the Peptide Ranker activity score and physicochemical property analysis.Through ToxinPred analysis and BIOPEP-UWM biological activity prediction,it was found that some oligopeptides had dipeptidyl peptidase Ⅳ(DPP-Ⅳ)inhibitory activity,and it was determined that WFP has the optimal DPPIV inhibitory activity peptide.Molecular docking showed that WFP and DPP-Ⅳ could form a stable complex with a binding energy of-6.93 kcal/mol.Further study indicated that WFP inhibited its activity through interacting with 9 amino acid residues in the three active pockets of DPP-Ⅳ S1,S2 and S3.This study provides a theoretical basis of further development of the nutritional value of Arctic red shrimp and its bioactive peptides.

关 键 词：In Silicon 分子对接 DPP-Ⅳ 细胞色素C氧化酶亚基Ⅰ 寡肽 

分 类 号：TS254.1[轻工技术与工程—水产品加工及贮藏工程]