Zinc Induced Aβ₁₆ Aggregation Modeled by Molecular Dynamics.

ABSTRACT: It is widely accepted that the addition of zinc leads to the formation of neurotoxic nonfibrillar aggregates of beta-amyloid peptides Aβ₄₀ and Aβ₄₂ and at the same time destabilizes amyloid fibrils. However, the mechanism of the effect of zinc on beta-amyloid is not fully understood. In this study, a fast zinc-induced aggregation of Aβ₁₆ (as compared to a system without zinc) via the formation of Aβ₁₆ dimers with one zinc ion coordinated in the metal-binding site ₁₁EVHH₁₄, followed by their polymerization, has been studied by molecular dynamics. The best aggregation was shown by the system composed of Aβ₁₆ dimers bound by one zinc ion, with no additional zinc in solution. The presence of Aβ₁₆ dimers was

SUBMITTER: Tolstova AP 

PROVIDER: S-EPMC8622866 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature