食品与发酵工业2024，Vol.50Issue(12)：251-257,中插9-中插12,11.DOI:10.13995/j.cnki.11-1802/ts.037068
副溶血性弧菌不耐热溶血素的生物信息学分析与分子动力学模拟
Bioinformatics analysis and molecular dynamics simulation of thermolabile hemolysin in Vibrio parahaemolyticus
摘要
Abstract
Vibrio parahaemolyticus is a Gram-negative zoonotic pathogen,which can cause food-borne diseases such as human gastro-enteritis.V.parahaemolyticus has many virulence factors and thermolabile hemolysin(TLH)is one of them.In this study,the tlh gene of V.parahaemolyticus was cloned and sequenced,and the bioinformatics analysis and structural and functional prediction of TLH protein were carried out.Results showed that the TLH consisted of 418 amino acids with a predicted molecular weight of 47.36 kDa.Several con-served domains and motifs were identified in TLH protein,including SGNH hydrolase domain and GDSL motif.Based on the homologous modeling and verification of the three-dimensional structure of TLH protein,the stability of TLH protein,the interaction ability with 4-ni-trophenyl laurate and the influence of binding substrate on the structure compactness and residue flexibility were analyzed by molecular dy-namics simulation.It was revealed that the periphery of the catalytic triad Ser153-His390-Asp393 is an important drug target active pocket with highly conserved residue sequences,and the residues showed flexibility difference after substrate binding.This study analyzed the properties and structure of V.parahaemolyticus TLH,which can provide theoretical support for ensuring the safety of aquatic products and improving the safety evaluation level of aquatic raw materials.关键词
基因克隆/副溶血性弧菌/不耐热溶血素(tlh)/生物信息学分析/分子动力学模拟Key words
gene cloning/Vibrio parahaemolyticus/thermolabile hemolysin(tlh)/bioinformatics analysis/molecular dynamics simulation引用本文复制引用
张德福,于振兴,张明,吕欣然,张永勤,张国清,励建荣..副溶血性弧菌不耐热溶血素的生物信息学分析与分子动力学模拟[J].食品与发酵工业,2024,50(12):251-257,中插9-中插12,11.基金项目
渤海大学海洋研究院开放课题(BDHYYJY2024003) （BDHYYJY2024003）
渤海大学食品科学与工程学院预研项目 （）
