大黄鱼蛋白中α-葡萄糖苷酶抑制肽的虚拟筛选  

The Virtual Screening ofα-Glucosidase Inhibitory Peptides in Larimichthys crocea Protein

作　　者：陈曦雅 邰志远 潘月新 和七一[1] 余晓东[1] CHEN Xiya;TAI Zhiyuan;PAN Yuexin;HE Qiyi;YU Xiaodong(Chongqing Engineering Research Center of Bioactive Substance,Ministry of Education Engineering Research Center of Active Substance and Biotechnology,College of Life Sciences,Chongqing Normal University,Chongqing 401331,China)

机构地区：[1]重庆师范大学生命科学学院、教育部活性物质生物技术工程研究中心、重庆市生物活性物质工程研究中心,重庆401331

出　　处：《重庆师范大学学报(自然科学版)》2024年第6期62-68,共7页Journal of Chongqing Normal University:Natural Science

基　　金：国家自然科学基金面上项目(No.3227030453);重庆市林业改革发展基金项目(No.Yu-lin-ke-tui-2019-2)。

摘　　要：为鉴定大黄鱼蛋白序列中潜在的α-葡萄糖苷酶抑制肽,首先通过模拟胃肠道消化大黄鱼蛋白,并利用Peptideranker、Toxinpred、AllerTop、Innovagen等多种生物信息学工具,对胃肠道消化酶虚拟酶解大黄鱼膜突蛋白和伴肌动蛋白后得到的894个肽序列片段进行筛选,并鉴定出26个无毒、无致敏性且水溶性良好的多肽;随后利用AutoDock SailVina软件对这些多肽作进一步筛选。结果显示:PPDVPEF、PDF、PPDY等3个多肽与α-葡萄糖苷酶的结合能力优于阳性对照多肽AGGFR;这3个多肽能够稳定地结合在α-葡萄糖苷酶受体的活性位点,并形成可靠的氢键连接。上述结果确认了PPDVPEF、PDF和PPDY存在于大黄鱼蛋白序列中,并具备潜在的α-葡萄糖苷酶抑制活性,为进一步研究和制备大黄鱼蛋白中的α-葡萄糖苷酶抑制肽提供了理论依据。To identify potentialα-glucosidase inhibitory peptides within the protein sequence of Larimichthys crocea,the protein was initially simulated to undergo digestion by gastric and intestinal enzymes.Subsequently,894 peptide sequences were screened and identified through the utilization of various bioinformatics tools,such as Peptideranker,Toxinpred,AllerTop,and Innovagen.Among these sequences,26 peptides were determined to be non-toxic,non-allergenic,and water-soluble.These peptides were further screened using the AutoDock SailVina software.The outcomes indicated that the binding ability of PPDVPEF,PDF,and PPDY toα-glucosidase surpassed that of the positive control peptide AGGFR.These three peptides could stably bind to the active site of theα-glucosidase receptor and form reliable hydrogen bonds.These results affirm that PPDVPEF,PDF,and PPDY exist in the protein sequence of L.crocea and possess potentialα-glucosidase inhibitory activity,thereby providing a theoretical foundation for further research and the preparation ofα-glucosidase inhibitory peptides from the L.crocea protein.

关 键 词：大黄鱼蛋白 α-葡萄糖苷酶抑制肽 虚拟筛选 分子对接 

分 类 号：Q74[生物学—分子生物学] Q956