Molecular Mechanism and Kinetics of Amyloid-β₄₂ Aggregate Formation: A Simulation Study.

ABSTRACT: As an important neuropathological hallmark of Alzheimer's disease (AD), the oligomerization of amyloid-β (Aβ) peptides has been intensively investigated in both theoretical and experimental studies. However, the oligomerization space in terms of the kinetics, molecular mechanism, and oligomer structures remains mysterious to us. An equation that can quantitatively describe the time it takes for Aβ oligomers to appear in the human brain at a given Aβ monomer concentration is extremely vital for us to understand the development and disease progression of AD. In this study, we utilized molecular dynamics (MD) simulations to investigate the oligomerization of Aβ₄₂ peptides at five different monomer concentrations. We have elucidated the formation pathways of Aβ tetramers, characteri

SUBMITTER: Man VH 

PROVIDER: S-EPMC7336531 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature