Amyloid oligomers: A joint experimental/computational perspective on Alzheimer's disease, Parkinson's disease, type II diabetes, and amyotrophic lateral sclerosis

PH Nguyen, A Ramamoorthy, BR Sahoo… - Chemical …, 2021 - ACS Publications
Protein misfolding and aggregation is observed in many amyloidogenic diseases affecting
either the central nervous system or a variety of peripheral tissues. Structural and dynamic …

Combining in vitro and in silico approaches to find new candidate drugs targeting the pathological proteins related to the Alzheimer's disease

H Li, X Wang, H Yu, J Zhu, H Jin… - Current …, 2018 - ingentaconnect.com
Background: Alzheimer's disease (AD) as the most common cause of dementia among older
people has aroused the universal concern of the whole world. However, until now there is …

Properties of monomeric Aβ42 probed by different sampling methods and force fields: Role of energy components

P Krupa, PD Quoc Huy, MS Li - The Journal of chemical physics, 2019 - pubs.aip.org
Aggregation of intrinsically disordered proteins (IDPs), such as amyloid beta peptide, can
cause serious health problems, associated with disorders including Alzheimer disease. Due …

Structure and physicochemical properties of the Aβ42 tetramer: multiscale molecular dynamics simulations

HL Nguyen, P Krupa, NM Hai, HQ Linh… - The Journal of Physical …, 2019 - ACS Publications
Despite years of intensive research, little is known about oligomeric structures present
during Alzheimer's disease (AD). Excess of amyloid beta (Aβ) peptides and their …

Aggregation rate of amyloid beta peptide is controlled by beta-content in monomeric state

TTM Thu, NT Co, LA Tu, MS Li - The Journal of chemical physics, 2019 - pubs.aip.org
Understanding the key factors that govern the rate of protein aggregation is of immense
interest since protein aggregation is associated with a number of neurodegenerative …

Computational models for the study of protein aggregation

NT Co, MS Li, P Krupa - Computer Simulations of Aggregation of Proteins …, 2022 - Springer
Protein aggregation has been studied by many groups around the world for many years
because it can be the cause of a number of neurodegenerative diseases that have no …

Identifying potential genetic epistasis implicated in Alzheimer's disease via detection of SNP-SNP interaction on quantitative trait CSF Aβ42

J Li, D Chen, H Liu, Y Xi, H Luo, Y Wei, J Liu… - Neurobiology of …, 2024 - Elsevier
Although genome-wide association studies have identified multiple Alzheimer's disease
(AD)-associated loci by selecting the main effects of individual single-nucleotide …

Impact of mutations at C-terminus on structures and dynamics of Aβ40 and Aβ42: a molecular simulation study

NH Linh, TTM Thu, LA Tu, CK Hu… - The Journal of Physical …, 2017 - ACS Publications
Alzheimer's disease is presumed to be caused by the formation of intracellular plaques of
amyloid β (Aβ) peptides inside neurons. The most abundant Aβ forms are Aβ40 and Aβ42 …

Envisaging the Structural Elevation in the Early Event of Oligomerization of Disordered Amyloid β Peptide

A Roy, K Chandra, S Dolui, NC Maiti - Acs Omega, 2017 - ACS Publications
In Alzheimer's disease (AD), amyloid β (Aβ) protein plays a detrimental role in neuronal
injury and death. Recent in vitro and in vivo studies suggest that soluble oligomers of the Aβ …

Antemortem-postmortem correlation of florbetapir (18F) PET amyloid imaging with quantitative biochemical measures of Aβ 42 but not Aβ 40

TG Beach, CL Maarouf, A Intorcia… - Journal of …, 2018 - content.iospress.com
Amyloid imaging demonstrates the in vivo presence of amyloid-β (Aβ) deposits in the aging
human brain but it is still unknown which structural forms and modifications of Aβ are …