水溶液中淀粉样蛋白片段Abeta16-21的动态结构研究
ynamic Structure of Amyloid Beta Protein(Abeta16-21) in Aqueous Solution
本文对阿尔兹海默症的致病因子--淀粉样蛋白Aβ体的片段（Abeta16-21）开展分子动力学模拟，探索其在水溶液中的动态结构变化。对所得到的全原子运动轨迹进行统计分析，深化了对Abeta16-21多肽中酰胺单元水合能力及所处化学微结构的认识，揭示了多肽分子与溶剂水分子之间氢键相互作用的强弱，为阿尔兹海默症的病理研究提供了必要的理论基础。
Molecular dynamic simulations were performed for the amyloid beta protein(Aβ) which is known as the factor of Alzheimer's disease (AD) to gain insight into the conformational feature of Abeta16-21 in aqueous solution. Statistic analysis was carried out on the all atoms trajectory. The understanding about the hydration effect and the microstructure around of amide units of Abeta16-21, and the degree of the hydrogen effect between Abeta16-21 and the water molecules were also revealed. These results provided theoretical insights and would be helpful for further pathological research of AD.
严思仪、庄丹玲、蔡开聪、刘佳
基础医学生物化学生物物理学分子生物学
物理化学阿尔兹海默症β-淀粉样蛋白分子动力学模拟结构动力学
Physical chemistryAlzheimer's diseaseAmyloid beta proteinMolecular dynamic simulationsStructural dynamics
严思仪,庄丹玲,蔡开聪,刘佳.水溶液中淀粉样蛋白片段Abeta16-21的动态结构研究[EB/OL].(2014-11-24)[2025-08-18].http://www.paper.edu.cn/releasepaper/content/201411-447.点此复制
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