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山东大学学报(工学版) ›› 2018, Vol. 48 ›› Issue (2): 134-138.doi: 10.6040/j.issn.1672-3961.0.2018.018

• • 上一篇    

pH对Aβ42小纤维的结构影响

赵伟,艾洪奇*   

  1. 济南大学化学化工学院, 山东 济南 250022
  • 收稿日期:2018-01-09 出版日期:2018-04-20 发布日期:2018-01-09
  • 通讯作者: 艾洪奇(1968— ),男,山东日照人,教授,博士,主要研究方向为生化及材料分子结构性质的计算机模拟与设计. ;E-mail: chm-aihq@ujn.edu.cn E-mail:1371982567@qq.com
  • 作者简介:赵伟(1992— ),女,山东青岛人,硕士研究生,主要研究方向为酸性对Aβ42低聚物和纤维的影响. E-mail: 1371982567@qq.com
  • 基金资助:
    山东省自然科学基金面上资助项目(ZR2017MB008)

pH effect on the structure of Aβ42 fibrils

ZHAO Wei, AI Hongqi*   

  1. School of Chemistry and Chemical Engineering, University of Jinan, Jinan 250022, Shandong, China
  • Received:2018-01-09 Online:2018-04-20 Published:2018-01-09

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摘要： 为了从原子层面上理解pH对Aβ42小纤维结构的影响,采用分子动力学模拟方法,通过分析二级结构,每条链的β-sheet含量以及扭转角,研究pH 4.0~7.5范围内Aβ42三聚体和五聚体的结构以及性质变化。研究结果表明,在pH 4.0~7.5范围内,pH对三聚体和五聚体的二级结构没有明显的影响,但是对小纤维每条链的β-sheet的含量有影响;扭转角以及小纤维的生长都是由纤维的奇数端引发,回应了关于纤维生长机制的意见分歧。

关键词: 纤维生长, 扭转角, Aβ42, 小纤维, pH 影响, 奇数端

Abstract: To find details at atomic level for the association between structure of Aβ42 fibrils and pH, molecular dynamic simulations were preformed to study the changes in structure and property of Aβ42 fibrils at pH 4.0~7.5, by analyzing secondary structures and contents of β-sheet per chain as well as twist angles. The results showed that pH caused little change in secondary structure of fibrils. However, difference existed in content of β-sheet per chain under different pHs. The changes of twist angles and growth of fibril were initiated by the odd tip, responding to the divergence in growth mechanism of fibril.

Key words: Aβ42, pH effect, fibrils, twist angle, fibril growth, odd tip

中图分类号: 

  • O64
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