《人类朊蛋白稳定性的流体分子动力学研究》.pdf

第 44卷 第 2期 河南大学学报 (自然科学版) Vo1．44 No．2 2014年 3月 JournalofHenanUniversity(NaturalScience) M ar．2O14 Flow M olecularDynamicsStudyontheStabilityofHumanPrionProtein ZHU Shuyan ，CHEN Xiliang ，CHEN XinH ，DUAN Danhui，LIU Yafang ， YU Xiaohan ．LEIYusheng。 (1．InstituteofEnvironmentalandAnalyticalSciences，CollegeofChemistryandChemicalEngineering， HenanUniversity，HenanKaifeng475004，China 2．DepartmentofEnvironmentaland ChemicalEngineering，YellowRiverConservancyTechnicalInstitute，HenanKaifeng475004，China；3．School ofLightIndustryandChemicalEngineering DalianPolytechicUniversity，LiaoningDalianl16034，China) Abstract：Prion diseases，known as transmissible spongiform encephalopathies (TSE)，or fataland infections neurodegenerativediseasesaffectinghumansandanimalswhich arerelatedwiththestructuretransition of口一helix intop-sheet．In thiswork，wild—typehumanprionprotein (hPrPc)andoneofitsmutation systemm—hPrPc (R220K)wereselectedtostudythestabilityofprionprotein (PrPc)．Thechemicalandthermodynamicstabilityof hPrPcwereinvestigated with thecombined methodofmoleculardynamics (MD)and flow moleculardynamics (FMD)simulation．Itwasfoundthattheprotectionwallcomposedwithcrossedd—helixcolumnwasthekeystability factorofPrPcand sheetwasquiteactiveduringallthesimulations．Hydrodynamicdisturbancewasshowntobe aneffectivetechniquetoacceleratetheunfoldingofproteinwithoutchangingtheunfoldingpathwayinsomeextent． Keywords：flow moleculardynamics(FMD)simulation；humanprionprotein (hPrPc)；stability；hydrodynamic CLC number：0643．1 Documentcode：A ArticleID：1003—4978(2014)02— 0163—07 人类朊蛋白稳定性的流体分子动力学研究 朱书艳 ，陈西良 ，陈 欣 ，段丹辉 ，刘亚芳 ，于笑寒 ，雷雨声。 (1．河南大学 化学化Z-学院 环境和分析科学研究所，河南 开