Jump to main content
Jump to site search


Mechanistic Insights into the Inhibition and Size effects of Graphene Oxide Nanosheets on the Aggregation of an Amyloid-β Peptide Fragment

Abstract

The aggregation of Amyloid-β (Aβ), which involves the formation of small oligomers and mature fibrils, has been received considerable attention in the past decades, due to its close link with Alzheimer’s disease (AD). The inhibition of β-sheet formation has been considered as the primary therapeutic strategy for AD. In this respect, graphene oxide (GO) gained significant attention because of its high solubility, good biocompatibility and inhibitory effect on the aggregation of Aβ and the 33-42 fragment (Aβ33-42). However, the inhibitory mechanism at atomic level remains elusive. Herein, we investigated the oligomerization of Aβ33-42 by performing replica exchange molecular dynamics simulations on four Aβ33-42 peptide chains in the absence and presence of two different sizes of GO. Our simulations show that isolated Aβ33-42 can form fibril-prone extended β-sheets and barrel-like structures, whereas they are suppressed in the presence of GO nanosheets. Our data reveal that GO inhibits Aβ33-42 oligomerization by making Aβ33-42 peptides separated from each other through strong interactions with M35. With the same total number of atoms, GO120 displays better inhibitory effect than GO60 by providing a larger effective contact surface area. This study provides molecular mechanism of GO in inhibiting the aggregation of Aβ33-42, which might offer a theoretical insight into the design of drug against AD at the atomic level.

Back to tab navigation

Supplementary files

Publication details

The article was received on 05 Feb 2018, accepted on 13 Apr 2018 and first published on 16 Apr 2018


Article type: Paper
DOI: 10.1039/C8NR01041B
Citation: Nanoscale, 2018, Accepted Manuscript
  •   Request permissions

    Mechanistic Insights into the Inhibition and Size effects of Graphene Oxide Nanosheets on the Aggregation of an Amyloid-β Peptide Fragment

    Y. Chen, Z. Chen, Y. Sun, J. Lei and G. Wei, Nanoscale, 2018, Accepted Manuscript , DOI: 10.1039/C8NR01041B

Search articles by author

Spotlight

Advertisements