TY  - JOUR
AU  - Liao, Qinghua
AU  - Owen, Michael C.
AU  - Bali, Sofia
AU  - Barz, Bogdan
AU  - Strodel, Birgit
TI  - Aβ under stress: the effects of acidosis, Cu 2+ -binding, and oxidation on amyloid β-peptide dimers
JO  - Chemical communications
VL  - 54
IS  - 56
SN  - 1364-548X
CY  - Cambridge
PB  - Soc.
M1  - FZJ-2018-07748
SP  - 7766 - 7769
PY  - 2018
AB  - In light of the high affinity of Cu2+ for Alzheimer's Aβ1–42 and its ability to subsequently catalyze the formation of radicals, we examine the effects of Cu2+ binding, Aβ oxidation, and an acidic environment on the conformational dynamics of the smallest Aβ1–42 oligomer, the Aβ1–42 dimer. Transition networks calculated from Hamiltonian replica exchange molecular dynamics (H-REMD) simulations reveal that the decreased pH considerably increased the β-sheet content, whereas Cu2+ binding increased the exposed hydrophobic surface area, both of which can contribute to an increased oligomerization propensity and toxicity.
LB  - PUB:(DE-HGF)16
C6  - pmid:29947363
UR  - <Go to ISI:>//WOS:000438237700008
DO  - DOI:10.1039/C8CC02263A
UR  - https://juser.fz-juelich.de/record/858912
ER  -