Insights into aggregation dynamics of NACore peptides from coarse-grained simulations

被引：3

作者：

Huang, Rui-jing ^{[1
]}

Tang, Ran ^{[2
]}

Song, Xiang-yan ^{[1
]}

Wang, Jing-han ^{[1
]}

Chen, Kang ^{[1
]}

Tian, Wen-de ^{[1
]}

机构：

[1] Soochow Univ, Ctr Soft Condensed Matter Phys & Interdisciplinar, Sch Phys Sci & Technol, Suzhou 215006, Peoples R China

[2] Soochow Univ, Dept Anesthesiol, Childrens Hosp, Suzhou, Peoples R China

来源：

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS | 2023年 / 91卷 / 01期

基金：

中国国家自然科学基金;

关键词：

aggregation dynamics; concentration effect; molecular dynamics simulation; NACore; ALPHA-SYNUCLEIN; PROTEIN; DISEASE; BETA;

D O I：

10.1002/prot.26405

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Alpha(alpha)-synuclein is closely related to the pathogenesis of Parkinson's disease (PD). The NACore, a fragment of alpha-synuclein, is considered to be the key region of alpha-synuclein that causes PD. The aggregation dynamics of NACores are studied via coarse-grained molecular dynamics simulations. We find that NACores can self-assemble into a large cluster at high concentrations. The aggregation dynamics can be divided into three stages. The growth kinetics for the first and second stages follows the power law, S-max similar to t(gamma), with the second stage faster than the first one. The characteristic lifetime for the high concentration is 40 times larger than that for the low concentration, implying the low fluidity. Understanding the aggregation dynamics of NACores is helpful to develop drugs for therapeutic prevention and intervention.

引用

页码：16 / 21

页数：6

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