去氢骆驼蓬碱对细粒棘球蚴中EgTP53蛋白生物信息学表达的影响  

Effect of dehydroharponine on bioinformatics expression of EgTP53 protein in Echinococcosis granulosus

作　　者：林玉霞 巩月红[2,3] 朱莉娜 赵美玲 潘美驰 赵一聪 王建华 LIN Yuxia;GONG Yuehong;ZHU Lina;ZHAO Meiling;PAN Meichi;ZHAO Yicong;WANG Jianhua(College of Pharmacy,Xinjiang Medical University,Urumqi 830011,China;Department of Pharmacy,the First Affiliated Hospital of Xinjiang Medical University;State Key Laboratory of Pathogenesis,Prevention,Treatment of High Incidence Diseases in Central Asian,Urumqi 830054,China)

机构地区：[1]新疆医科大学药学院,乌鲁木齐830011 [2]新疆医科大学第一附属医院药学部 [3]省部共建中亚高发病成因与防治国家重点实验室,乌鲁木齐830054

出　　处：《新疆医科大学学报》2024年第2期268-274,共7页Journal of Xinjiang Medical University

基　　金：新疆维吾尔自治区自然科学基金重点项目(2021D01D15);新疆维吾尔自治区自然科学基金面上项目(2020D01C240)。

摘　　要：目的基于生物信息学表达分析去氢骆驼蓬碱对细粒棘球蚴中EgTP53蛋白(Echinococcus granulosus of Tumor protein p53,EgTP53)的影响。方法将EgTP53蛋白与去氢骆驼蓬碱进行分子对接,从美国国家生物技术信息中心数据库(National Center for Biotechnology Information,NCBI)下载EgTP53的氨基酸序列,使用ProtParam蛋白分析工具进行EgTP53蛋白理化性质的预测,通过生信工具ProtScale进行疏水性的预测。使用SignalP5.0在线软件对信号肽进行预测,使用生物学在线软件工具TMHMM分析跨膜区域。借助NetPhos3.1在线软件预测磷酸化位点,利用SOMPA在线软件进行二级结构的预测。使用SWISS-MODEL在线软件对EgTP53的三级结构进行预测,采用IEDB在线软件进行B细胞抗原表位预测。使用MEGA6.0软件构建系统进化树并进行分析;采用实时荧光定量PCR技术检测去氢骆驼蓬碱作用后EgTP53蛋白的mRNA表达水平。结果分子对接结果显示,EgTP53与去氢骆驼蓬碱的对接能量为-4.44 kcal/mol,有良好的对接位点。生物信息学分析EgTP53氨基酸数量1108个,分子量121799.11,等电点9.29,属于亲水性蛋白,有一个信号肽,无跨膜区,有多个磷酸化位点,28个B细胞抗原表位。其中存在TUDOR蛋白结构域,存在2个BRCT保守蛋白结构域。EgTP53与亚洲带绦虫病、带状泡尾绦虫同属一个分支,与长膜带绦虫、矮小齿壳绦虫、微口膜壳绦虫同属绦虫纲,进化关系较近,与智人、家鼠、果蝇进化关系较远。实时荧光定量PCR结果显示去氢骆驼蓬碱干预组的EgTP53蛋白的mRNA表达较空白对照组明显上调。结论生物信息学分析表明EgTP53蛋白具有保守的功能结构域,对接点位稳定性良好,抗原表位多。Objective Bioinformatics was used to analyze the effect of dehydroharmaline on EgTP53(Echinococcus granulosus of Tumor protein p53,EgTP53)protein in Echinococcus granulosus.Methods EgTP53 was molecularly docked with harmine,and the amino acid sequence of EgTP53 was down-loaded from the National Center for Biotechnology Information(NCBI)database.The physical and chemical properties of EgTP53 protein were predicted using ProtParam protein analysis tool,and the hydrophobicity was predicted using ProtScale,an online software tool of Sangshin.Signal peptides were predicted using SignalP5.0 software,and transmembrane regions were analyzed using the BioTrust online software tool TMHMM.Phosphorylation sites were predicted with the help of NetPhos3.1 online software,and secondary structure prediction was performed using the SOMPA platform.The tertiary structure of EgTP53 was predicted with the help of SWISS-MODEL online software,and the prediction of B-cell antigenic epitopes was performed with the help of IEDB online software.The phylogenetic tree was constructed and analyzed using MEGA6.0 software;then real-time fluorescence quantitative PCR was used to detect the mRNA expression level of EgTP53 protein after the action of harmine.Results The molecular docking results showed that the docking energy of EgTP53 with harmine was-4.44 kcal/mol,which had a good docking site.Bioinformatics analysis of EgTP53 amino acid number 1108,molecular weight:121799.11,isoelectric point 9.29,belonged to hydrophilic proteins,there was a signal peptide,no transmembrane region,there were several phosphorylation sites,28 B cell antigenic epitopes.Among them,there existed TUDOR protein structural domains and 2 BRCT conserved protein structural domains.EgTP53 belonged to the same branch with Asian tapeworm disease and banded vesicular tapeworm,and belonged to the same order of cestode as long membrane tapeworm,dwarf toothed-shell tapeworm,and microstomatous membrane-shell cestode,which had a closer evolutionary relationship,and it was more dist

关 键 词：细粒棘球蚴 EgTP53蛋白 生物信息学 分子对接 去氢骆驼蓬碱 

分 类 号：R917[医药卫生—药物分析学]