Informace o publikaci
A beta under stress: the effects of acidosis, Cu2+-binding, and oxidation on amyloid beta-peptide dimers
| Autoři | |
|---|---|
| Rok publikování | 2018 |
| Druh | Článek v odborném periodiku |
| Časopis / Zdroj | Chemical communications |
| Fakulta / Pracoviště MU | |
| Citace | |
| www | https://pubs.rsc.org/en/Content/ArticleLanding/2018/CC/C8CC02263A#!divAbstract |
| Doi | http://dx.doi.org/10.1039/c8cc02263a |
| Klíčová slova | ALZHEIMERS-DISEASE; PROTEIN OLIGOMERS; FIBRIL FORMATION; AGGREGATION; TOXICITY; PATHWAYS; ASSEMBLIES; DYNAMICS; MONOMER; BINDING |
| Popis | In light of the high affinity of Cu2+ for Alzheimer's A(1-42) and its ability to subsequently catalyze the formation of radicals, we examine the effects of Cu2+ binding, A oxidation, and an acidic environment on the conformational dynamics of the smallest A(1-42) oligomer, the A(1-42) dimer. Transition networks calculated from Hamiltonian replica exchange molecular dynamics (H-REMD) simulations reveal that the decreased pH considerably increased the -sheet content, whereas Cu2+ binding increased the exposed hydrophobic surface area, both of which can contribute to an increased oligomerization propensity and toxicity. |