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时间:2020-03-26
《兔子朊蛋白结构稳定性的分子动力学研究.pdf》由会员上传分享,免费在线阅读,更多相关内容在行业资料-天天文库。
1、第23卷第6期化学研究中国科技核心期刊2012年11月CHEMICALRESEARCHhxyj@henu.edu.cnStudyonstabilityofrabbitprionproteinbymoleculardynamicssimulationCHENXin,JINXiang—feng,LIUYa—fang,ZHANGJing(CollegeofChemistryandChemicalEngineering,HenanUniversity,Kaifeng475004Henan,China)Abstract:Priondi
2、seasesareratalandhighlyinfectiousneurodegenerativediseasesthataffecthumansandanimals.RabbitiSoneoftheseveralmammalianspeciesreportedtoberesistanttoinfectionfrompriondiseases.Inthisresearch,moleculardynamics(MD)andsteeredmolecu—lardynamics(SMD)simulationswerecombine
3、dtostudythestabilityofrabbitprionprotein(rPrPc).Thedynamicscharacteristicsofthekeysecondarystructuresandtheanisotropicre—sistanceofexterna1forcesofrPrPcwererevealed.Furthermore,thestructura1stabilityofrPrPcwasconfirmedwithstructuralconvergenceandrigiditydistributio
4、nbasedonthesimula—tions.Keywords:rabbitprionprotein(rPrPc);structuralstability;moleculardynamics(MD)simu—lation:steeredmoleculardynamics(SMD)simulationCICnumber:0643.1Documentcode:AArticleID:1008—1011(2012)06一OO58—06兔子朊蛋白结构稳定性的分子动力学研究陈欣,金相逢,刘亚芳,张敬来(河南大学化学化工学院,河南开封4
5、75004)摘要:朊蛋白病是一种能够对人类和动物带来致命影响,并具有高度传染性的神经退行性疾病.兔子是目前已经报道的哺乳类动物中对朊蛋白病免疫的少数几个物种之一.我们将分子动力学和操控式分子动力学模拟相结合,研究了兔子正常朊蛋白的结构稳定性;同时讨论了蛋白结构的收敛性及刚性分布,并揭示了兔子朊蛋白中关键二级结构的动力学以及受力各向异性特征,证实了兔子朊蛋白结构的稳定性特征.关键词:兔子朊蛋白;结构稳定性;分子动力学模拟;操控式分子动力学模拟Priondiseases,knownastransmissiblespongifor
6、mencepha10pathies(TSEs)associatedwithCreu—tzfeldt—Jackobdisease(CJD),Kuruinhumans,scrapieinsheepandbovinespongiformencepha1opathy(BSE),areinvariablyfatalandhighlyinfectiousneurodegenerativediseases[.Acquiringstructuralin—formationofnormalcellularprionprotein(PrPc)i
7、nscrapieisoform(PrPsc)isessentialforunderstandingthepathogenesisofpriondisease.TheaminosequencesofPrPcandPrPscarethesame,butthesecondarystructureofthetwoisoformsisquitedifferent:PrPcisrichind—helicalstructure,whereasPrPsccontainsasignificantincreaseinfl-sheetsconte
8、nt(from3to45)E43.Thusthestudyofthestructuraldynamicsmechanismisofgreatimportanceforunderstandingthepathogenesisofpriondiseases.Recently,bothexper
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