您的位置:首页  > 论文页面

水溶液中淀粉样蛋白片段Aβ16-21的动态结构研究

发表时间:2015-02-15  浏览量:1298  下载量:368
全部作者: 庄丹玲,严思仪,刘佳,蔡开聪
作者单位: 福建师范大学化学与化工学院,福建省理论与计算化学重点实验室
摘 要: 对阿尔兹海默症(Alzheimer’s disease,AD)的致病因子——淀粉样蛋白A餬体的片段(amyloid amyloid 餬�protein16-21,A餬16-21)开展分子动力学模拟,探索其在水溶液中的动态结构变化。对所得全原子运动轨迹进行统计分析,深化了对A餬16-21多肽中酰胺单元水合能力及其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AD的病理研究提供了必要的理论基础。
关 键 词: 物理化学;阿尔兹海默症;餬-淀粉样蛋白;分子动力学模拟;结构动力学
Title: Dynamic structure of amyloid 餬 protein fragment A餬16-21 in aqueous solution
Author: ZHUANG Danling, YAN Siyi, LIU Jia, CAI Kaicong
Organization: Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Fujian Normal University
Abstract: Molecular dynamic simulations were performed for the amyloid 餬�protein fragment 16-21 (Aβ16-21) which is known as the factor of Alzheimer’s disease (AD) to gain insight into the conformational feature of A餬16-21 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 A餬16-21, and the degree of the hydrogen effect between A餬16-21 and the water molecules were also revealed. These results provided the oretical insights and would be helpful for further pathological research of AD.
Key words: physical chemistry; Alzheimer’s disease; amyloid 餬 protein; molecular dynamic simulations; structural dynamics
发表期数: 2015年2月第3期
引用格式: 庄丹玲,严思仪,刘佳,等. 水溶液中淀粉样蛋白片段Aβ16-21的动态结构研究 [J]. 中国科技论文在线精品论文,2015,8(3):264-269.
 
1 评论数 0
暂无评论
友情链接