食品与发酵工业2024，Vol.50Issue(20)：104-112,9.DOI:10.13995/j.cnki.11-1802/ts.037870
多肽组学联合分子对接筛选玉足海参抗血栓肽
Peptidomics combined with molecular docking screening for antithrombotic peptides from sea cucumber(Holothuria leucospilota)
摘要
Abstract
Based on peptidomics combined with molecular docking technology,active peptides with antithrombotic effects were screened from Holothuria leucospilota.LC-MS/MS technology was used to characterize the full peptide spectrum of the enzymatic hydroly-sate of sea cucumber,and a small-scale candidate peptide library was established through simple separation and purification.At the same time,bioinformatics software was used to analyze the physicochemical properties of the peptide library and evaluate the feasibility of the anti-thrombotic activity screening method.Using Discovery Studio software to screen potential antithrombotic peptide sequences by molecu-lar docking based on the binding mode of recombinant hirudin fragment(HIRV2)and thrombin,the antithrombotic activity of artificially synthesized peptides was evaluated using four indicators,including activated partial thromboplatin time,prothrombin time,thrombin time,and thrombin inhibition rate.Results showed that the enzymatic hydrolysate of sea cucumber contained 1 795 peptide sequences.116 pep-tide sequences with a relative molecular weight of 1-3 kDa were selected to establish a candidate peptide library.Six potential antithrom-botic active peptides(CDOCKER ENERGY was higher than HIRV2)were screened through molecular docking.SCp-1 and SCp-2 were closely bound to the 10 amino acid residues of thrombin,indicating that they were potential antithrombotic peptides.In vitro activity showed that both SCp-1 and SCp-2 exhibited(P＜0.05)a dose-dependent endogenous anticoagulant activity and a common pathway anti-coagulant activity.Compared to the two,SCp-1 exhibited stronger anticoagulant activity in the endogenous pathway,while SCp-2 exhibited better anticoagulant activity in the common pathway.In summary,two novel foodborne antithrombotic peptides were successfully screened from the enzymatic hydrolysis products of sea cucumber through peptide omics combined with molecular docking.关键词
玉足海参/多肽组学/生物信息学/分子对接/抗血栓肽Key words
sea cucumber(Holothuria leucospilota)/peptidomics/bioinformatics/molecular docking/antithrombotic peptide引用本文复制引用
李汉琪,王治军,郑清瑶,宋春勇,陈忠琴,谭明堂,林海生,曹文红..多肽组学联合分子对接筛选玉足海参抗血栓肽[J].食品与发酵工业,2024,50(20):104-112,9.基金项目
"十三五"国家重点研发计划重点专项(2020YFD0901104) （2020YFD0901104）
湛江市农业技术攻关项目(2021A05187) （2021A05187）
