Molecular Mechanism of Tau Misfolding and Aggregation: Insights from Molecular Dynamics Simulation


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Tau dysfunction has a close association with many neurodegenerative diseases, which are collectively referred to as tauopathies. Neurofibrillary tangles (NFTs) formed by misfolding and aggregation of tau are the main pathological process of tauopathy. Therefore, uncovering the misfolding and aggregation mechanism of tau protein will help to reveal the pathogenic mechanism of tauopathies. Molecular dynamics (MD) simulation is well suited for studying the dynamic process of protein structure changes. It provides detailed information on protein structure changes over time at the atomic resolution. At the same time, MD simulation can also simulate various conditions conveniently. Based on these advantages, MD simulations are widely used to study conformational transition problems such as protein misfolding and aggregation. Here, we summarized the structural features of tau, the factors affecting its misfolding and aggregation, and the applications of MD simulations in the study of tau misfolding and aggregation.

作者简介

Haiyang Zhong

College of Pharmaceutical Sciences, Zhejiang University

Email: info@benthamscience.net

Hongli Liu

Jiangsu Key Laboratory of New Drug Research and Clinical Pharmacy, Xuzhou Medical University

Email: info@benthamscience.net

Huanxiang Liu

Faculty of Applied Science, Macao Polytechnic University

编辑信件的主要联系方式.
Email: info@benthamscience.net

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