Disclosing the Mechanism of Spontaneous Aggregation and Template-Induced Misfolding of the Key Hexapeptide (PHF6) of Tau Protein Based on Molecular Dynamics Simulation

2019 ◽  
Vol 10 (12) ◽  
pp. 4810-4823 ◽  
Author(s):  
Hongli Liu ◽  
Haiyang Zhong ◽  
Xuewei Liu ◽  
Shuangyan Zhou ◽  
Shuoyan Tan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Tau Protein ◽  
Dynamics Simulation ◽  
Spontaneous Aggregation

Copper (Cu2+) Ion Induced Misfolding of Tau Protein R3 Peptide Revealed by Enhanced Molecular Dynamics Simulation

2021 ◽  
Author(s):  
Jing Jing ◽  
Gao Tu ◽  
Hongyan Yu ◽  
Rong Huang ◽  
Xianquan Ming ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neurodegenerative Diseases ◽  
Significant Role ◽  
Tau Protein ◽  
Dynamics Simulation ◽  
Physiological Conditions ◽  
Intrinsically Disordered

Tau misfolding plays a significant role in some neurodegenerative diseases such as Alzheimer’s disease (AD). It is intrinsically disordered and highly soluble under normal physiological conditions. While the protein will...

Mechanisms of Melatonin Binding and Destabilizing Protofilament and Filament of Tau R3-R4 Domains Revealed by Molecular Dynamics Simulation

2021 ◽  
Author(s):  
Lili Zhu ◽  
Yehong Gong ◽  
Hao Lju ◽  
Gongwu Sun ◽  
Qingwen Zhang ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Tau Protein ◽  
Dynamics Simulation ◽  
Pathological Characteristics ◽  
Amyloid Aβ ◽  
Β Amyloid

The accumulations of β-amyloid (Aβ) and tau protein are considered as two important pathological characteristics of Alzheimer's disease (AD). Failures of medicine targeting Aβ have drawn more attention to tau...

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