https://doi.org/10.1140/epjp/s13360-022-02681-z
Regular Article
The influences of cholesterol and AC0107 inhibitor molecules on the amyloid-beta fibrils aggregation in cell membranes: molecular modeling approach
1
Department of Chemistry, University of Isfahan, 81746-73441, Isfahan, Iran
2
Department of Physics, University of Isfahan, 81746-73441, Isfahan, Iran
b
lohrasebi@phys.ui.ac.ir
d bordbar@chem.ui.ac.ir, akbordbar@gmail.com
Received:
30
January
2022
Accepted:
3
April
2022
Published online:
13
April
2022
Alzheimer’s disease is one of the widespread types of neurological dementia. The circumstances, which could influence Alzheimer’s risk and expression, have been frequently investigated in up-to-date research. A growing number of studies point to a relationship between cholesterol existence and the formation of amyloid plaques in the brain. The molecular dynamics simulations method examines the impact of embedded cholesterol molecules in a patch of cell membrane on the amyloid-beta (Aβ) oligomer aggregation. In addition, the influence of [AC0107] molecules as Aβ oligomer aggregation inhibitors is contemplated. It is found that the cholesterol interaction with the Aβ oligomer enhances the Aβ aggregation probability. Furthermore, the results acknowledge the protective feature of the [AC0107] molecules against the Aβ oligomer accumulation on the membrane. The outcomes show an increase in the interatomic interactions between the membrane molecules and the oligomers in the presence of cholesterol, while their reduction in the presence of [AC0107] molecules.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2022
