Exploring the Alzheimer amyloid-β peptide conformational ensemble: A review of molecular dynamics approaches.

Abstract:

:Alzheimer's disease is one of the most common dementia among elderly worldwide. There is no therapeutic drugs until now to treat effectively this disease. One main reason is due to the poorly understood mechanism of Aβ peptide aggregation, which plays a crucial role in the development of Alzheimer's disease. It remains challenging to experimentally or theoretically characterize the secondary and tertiary structures of the Aβ monomer because of its high flexibility and aggregation propensity, and its conformations that lead to the aggregation are not fully identified. In this review, we highlight various structural ensembles of Aβ peptide revealed and characterized by computational approaches in order to find converging structures of Aβ monomer. Understanding how Aβ peptide forms transiently stable structures prior to aggregation will contribute to the design of new therapeutic molecules against the Alzheimer's disease.

journal_name

Peptides

journal_title

Peptides

authors

Tran L,Ha-Duong T

doi

10.1016/j.peptides.2015.04.009

subject

Has Abstract

pub_date

2015-07-01 00:00:00

pages

86-91

eissn

0196-9781

issn

1873-5169

pii

S0196-9781(15)00128-X

journal_volume

69

pub_type

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