An account of amyloid oligomers: facts and figures obtained from experiments and simulations

L Nagel‐Steger, MC Owen, B Strodel - ChemBioChem, 2016 - Wiley Online Library
The deposition of amyloid in brain tissue in the context of neurodegenerative diseases
involves the formation of intermediate species—termed oligomers—of lower molecular mass …

The role of heme and copper in Alzheimer's disease and type 2 diabetes mellitus

I Pal, SG Dey - JACS Au, 2023 - ACS Publications
Beyond the well-explored proposition of protein aggregation or amyloidosis as the central
event in amyloidogenic diseases like Alzheimer's Disease (AD), and Type 2 Diabetes …

How does chirality determine the selective inhibition of histone deacetylase 6? A lesson from trichostatin a enantiomers based on molecular dynamics

Y Zhang, JB Ying, JJ Hong, FC Li, TT Fu… - ACS Chemical …, 2019 - ACS Publications
Histone deacetylase 6 (HDAC6) plays a key role in a variety of neurological disorders, which
makes it attractive drug target for the treatment of Alzheimer's disease, Parkinson's disease …

Neurotoxicity of zinc

DR Morris, CW Levenson - Neurotoxicity of metals, 2017 - Springer
Zinc-induced neurotoxicity has been shown to play a role in neuronal damage and death
associated with traumatic brain injury, stroke, seizures, and neurodegenerative diseases …

Second sphere interactions in amyloidogenic diseases

M Roy, AK Nath, I Pal, SG Dey - Chemical Reviews, 2022 - ACS Publications
Amyloids are protein aggregates bearing a highly ordered cross β structural motif, which
may be functional but are mostly pathogenic. Their formation, deposition in tissues and …

Amylin–Aβ oligomers at atomic resolution using molecular dynamics simulations: a link between Type 2 diabetes and Alzheimer's disease

M Baram, Y Atsmon-Raz, B Ma, R Nussinov… - Physical Chemistry …, 2016 - pubs.rsc.org
Clinical studies have identified Type 2 diabetes (T2D) as a risk factor of Alzheimer's disease
(AD). One of the potential mechanisms that link T2D and AD is the loss of cells associated …

Impact of Cu(II) Binding on Structures and Dynamics of Aβ42 Monomer and Dimer: Molecular Dynamics Study

PDQ Huy, QV Vuong, G La Penna… - ACS chemical …, 2016 - ACS Publications
The classical force field, which is compatible with the Amber force field 99SB, has been
obtained for the interaction of Cu (II) with monomer and dimers of amyloid-β peptides using …

Deciphering calcium-binding behaviors of casein phosphopeptides by experimental approaches and molecular simulation

M Luo, J **ao, S Sun, F Cui, G Liu, W Li, Y Li, Y Cao - Food & function, 2020 - pubs.rsc.org
Casein phosphopeptides (CPPs) as premium additives in functional foods can facilitate the
transport and adsorption of calcium. The atomic resolution decipherment of calcium–CPP …

Impact of the A2V mutation on the heterozygous and homozygous Aβ1–40 dimer structures from atomistic simulations

PH Nguyen, F Sterpone, JM Campanera… - ACS Chemical …, 2016 - ACS Publications
The A2V mutation was reported to protect from Alzheimer's disease in its heterozygous form
and cause an early Alzheimer's disease type dementia in its homozygous form. Experiments …

Dimerization Mechanism of Alzheimer Aβ40 Peptides: The High Content of Intrapeptide-Stabilized Conformations in A2V and A2T Heterozygous Dimers Retards …

PH Nguyen, F Sterpone, R Pouplana… - The Journal of …, 2016 - ACS Publications
Amyloid beta (Aβ) oligomerization is associated with the origin and progression of
Alzheimer's disease (AD). While the A2V mutation enhances aggregation kinetics and …