[HTML][HTML] On the conformational dynamics of β-amyloid forming peptides: A computational perspective
Understanding the conformational dynamics of proteins and peptides involved in important
functions is still a difficult task in computational structural biology. Because such …
functions is still a difficult task in computational structural biology. Because such …
[HTML][HTML] Self-assembling peptide biomaterials: Insights from spontaneous and enhanced sampling molecular dynamics simulations
BJ Williams-Noonan, A Kamboukos… - Chemical Physics …, 2023 - pubs.aip.org
Peptide self-assembly is the process by which peptide molecules aggregate into low
dimensional (1D, 2D) or 3D ordered materials with potential applications ranging from drug …
dimensional (1D, 2D) or 3D ordered materials with potential applications ranging from drug …
Caffeic acid for the prevention and treatment of Alzheimer's disease: The effect of lipid membranes on the inhibition of aggregation and disruption of Aβ fibrils
The onset of Alzheimer's disease (AD) is triggered by the aggregation of amyloid β (Aβ)
peptides which leads to the formation of fibrils. Molecules that are able to inhibit fibrillation …
peptides which leads to the formation of fibrils. Molecules that are able to inhibit fibrillation …
Molecular simulations reveal terminal group mediated stabilization of helical conformers in both amyloid-β42 and α-synuclein
The presence of partially structured helices in natively unfolded amyloid-β42 (Aβ42) and α-
synuclein (αS) has been shown to accelerate fibrillation in the onset of Alzheimer's and …
synuclein (αS) has been shown to accelerate fibrillation in the onset of Alzheimer's and …
Influence of in vitro neuronal membranes on the anti-amyloidogenic activity of gallic acid: Implication for the therapy of Alzheimer's disease
Molecules inhibiting the amyloid beta (Aβ) peptide aggregation and/or disaggregating
mature fibrils are a promising approach for the Alzheimer's disease (AD) therapy, as the Aβ …
mature fibrils are a promising approach for the Alzheimer's disease (AD) therapy, as the Aβ …
Interactions of a multifunctional di-triazole derivative with Alzheimer's Aβ 42 monomer and Aβ 42 protofibril: a systematic molecular dynamics study
Amyloid aggregation modulators offer a promising treatment strategy for Alzheimer's disease
(AD). We have recently reported a novel di-triazole based compound 6n as a multi-target …
(AD). We have recently reported a novel di-triazole based compound 6n as a multi-target …
Vitamin B12 inhibits Aβ fibrillation and disaggregates preformed fibrils in the presence of synthetic neuronal membranes
The aggregation of amyloid β (Aβ) peptide with subsequent formation of fibrils which deposit
in senile plaques is considered one of the key triggers of Alzheimer's disease (AD) …
in senile plaques is considered one of the key triggers of Alzheimer's disease (AD) …
Edaravone inhibits the conformational transition of amyloid-β42: insights from molecular dynamics simulations
Previous work has shown that edaravone inhibits fibrillogenesis of amyloid-β protein (Aβ).
However, the detailed mechanism by which edaravone inhibits the conformational transition …
However, the detailed mechanism by which edaravone inhibits the conformational transition …
Molecular dynamics study of conformation transition from helix to sheet of Aβ42 peptide
M Zhou, H Wen, H Lei, T Zhang - Journal of Molecular Graphics and …, 2021 - Elsevier
Aβ42 peptides can form helix and sheet structure under different conditions. The
conformational conversion is closely associated with Aβ peptides aggregation and their …
conformational conversion is closely associated with Aβ peptides aggregation and their …
An α-helix mimetic oligopyridylamide, ADH-31, modulates Aβ 42 monomer aggregation and destabilizes protofibril structures: Insights from molecular dynamics …
Alzheimer's disease (AD), an epidemic growing worldwide due to no effective medical aid
available in the market, is a neurological disorder. AD is known to be directly associated with …
available in the market, is a neurological disorder. AD is known to be directly associated with …