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Issue 23, 2021
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Impact of Cu(ii) and Al(iii) on the conformational landscape of amyloidβ1-42

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Abstract

Metal ions have been found to play an important role in the formation of extracellular β-amyloid plaques, a major hallmark of Alzheimer's disease. In the present study, the conformational landscape of Aβ42 with Al(III) and Cu(II) has been explored using Gaussian accelerated molecular dynamics. Both metals reduce the flexibility of the peptide and entail a higher structural organization, although to different degrees. As a general trend, Cu(II) binding leads to an increased α-helix content and to the formation of two α-helices that tend to organize in a U-shape. By contrast, most Al(III) complexes induce a decrease in helical content, leading to more extended structures that favor the appearance of transitory β-strands.

Graphical abstract: Impact of Cu(ii) and Al(iii) on the conformational landscape of amyloidβ1-42

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Supplementary files

Article information


Submitted
09 Apr 2021
Accepted
07 May 2021
First published
10 May 2021

Phys. Chem. Chem. Phys., 2021,23, 13023-13032
Article type
Paper

Impact of Cu(II) and Al(III) on the conformational landscape of amyloidβ1-42

L. Roldán-Martín, F. Peccati, G. Sciortino, M. Sodupe and J. Maréchal, Phys. Chem. Chem. Phys., 2021, 23, 13023 DOI: 10.1039/D1CP01561C

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