Structural Characterization and Biological Activity of Oligopeptides from Isochrysis zhanjiangensis:Based on Quantum Mechanics,Molecular Docking and in Vitro Experiments  

作　　者：LIN Liyuan LI Huijuan HONG Pengzhi ZHOU Chunxia SUN Shengli QIAN Zhongji 

机构地区：[1]School of Chemistry and Environment,Colleage of Food Science and Technology,Shenzhen Institute of Guangdong Ocean University,Guangdong Ocean University,Zhanjiang 524088,China [2]Southern Marine Science and Engineering Guangdong Laboratory,Zhanjiang 524088,China

出　　处：《Journal of Ocean University of China》2023年第4期1139-1150,共12页中国海洋大学学报（英文版）

基　　金：The research was funded by the 2020 Shenzhen International Scientific and Technological Cooperation R&D Project(No.GJHZ20190823111601682);the Natural Science Foundation of Guangdong Province(No.2020A 1515011075);It was supported by the Special Funds for the‘Cultivation of Guangdong College Students’Scientific and Technological Innovation(‘Climbing Program’Special Funds No.pdjh2022a0232);The study also was funded by the Postgraduate Education Innovation Project of Guangdong Ocean University(No.2021148);Innovative Training Program for College Students of Guangdong Ocean University(No.S202210566067)。

摘　　要：DAPTMGY(DTY)is an oligopeptide derived from marine microalgae with proven potential to combat oxidative stress in previous research.The composition,ordering,and active sites of amino acids play a key role in activity studies and are also the research trends in recent years.As an oligopeptide with a molecular weight of less than 1000 Da,DTY is of great significance to explore the active site and structure-activity relationship.This study used quantum mechanics to optimize DTY’s structure and predict the active site through molecular orbits,energy,and charge.In addition,an LPS-treated HUVEC cell was established as an oxidative-stress model.DTY could reduce mitochondrial oxidative stress and inhibit ROS production by enhancing the antioxidant enzymes SOD,GPX,and HO-1.Moreover,it was confirmed to inhibit inflammation and apoptosis through the NF-κB and MAPK signaling pathways.Lastly,the correlation of the oligopeptide DTY’s active site and antioxidative-stress activity was verified by molecular docking,showing that hydrogen bonding is the main force,which was also the main factor for antioxidant activity.

关 键 词：OLIGOPEPTIDE structure-activity relationship active site oxidative stress HUVEC 

分 类 号：TS201.2[轻工技术与工程—食品科学]