Molecular dynamics simulation studies on the aggregation of amyloid-β peptides and their disaggregation by ultrasonic wave and infrared laser irradiation
Alzheimer's disease is understood to be caused by amyloid fibrils and oligomers formed by
aggregated amyloid-β (Aβ) peptides. This review article presents molecular dynamics (MD) …
aggregated amyloid-β (Aβ) peptides. This review article presents molecular dynamics (MD) …
SEVI inhibits Aβ amyloid aggregation by capping the β-sheet elongation edges
Inhibiting the aggregation of amyloid peptides with endogenous peptides has broad interest
due to their intrinsically high biocompatibility and low immunogenicity. Here, we investigated …
due to their intrinsically high biocompatibility and low immunogenicity. Here, we investigated …
Key residue for aggregation of amyloid-β peptides
SG Itoh, M Yagi-Utsumi, K Kato… - ACS Chemical …, 2022 - ACS Publications
It is known that oligomers of amyloid-β (Aβ) peptide are associated with Alzheimer's disease.
Aβ has two isoforms: Aβ40 and Aβ42. Although the difference between Aβ40 and Aβ42 is …
Aβ has two isoforms: Aβ40 and Aβ42. Although the difference between Aβ40 and Aβ42 is …
Perspective for Molecular Dynamics Simulation Studies of Amyloid-β Aggregates
H Okumura - The Journal of Physical Chemistry B, 2023 - ACS Publications
The cause of Alzheimer's disease is related to aggregates such as oligomers and amyloid
fibrils consisting of amyloid-β (Aβ) peptides. Molecular dynamics (MD) simulation studies …
fibrils consisting of amyloid-β (Aβ) peptides. Molecular dynamics (MD) simulation studies …
Inhibition Effect and Molecular Mechanisms of Quercetin on the Aβ42 Dimer: A Molecular Dynamics Simulation Study
M Fang, X Wang, K Su, X Jia, P Guan, X Hu - ACS omega, 2023 - ACS Publications
Amyloid-β (Aβ) dimer as the smallest oligomer has recently been drawing attention due to its
neurotoxicity, transient nature, and heterogeneity. The inhibition of Aβ dimer's aggregation is …
neurotoxicity, transient nature, and heterogeneity. The inhibition of Aβ dimer's aggregation is …
Replica permutation with solute tempering for molecular dynamics simulation and its application to the dimerization of amyloid-β fragments
We propose the replica permutation with solute tempering (RPST) by combining the replica-
permutation method (RPM) and the replica exchange with solute tempering (REST) …
permutation method (RPM) and the replica exchange with solute tempering (REST) …
Dissociation process of polyalanine aggregates by free electron laser irradiation
Polyalanine (polyA) disease-causative proteins with an expansion of alanine repeats can be
aggregated. Although curative treatments for polyA diseases have not been explored, the …
aggregated. Although curative treatments for polyA diseases have not been explored, the …
[HTML][HTML] Application study of infrared free-electron lasers towards the development of amyloidosis therapy
M Jindo, K Nakamura, H Okumura… - Journal of Synchrotron …, 2022 - scripts.iucr.org
Amyloidosis is known to be caused by the deposition of amyloid fibrils into various biological
tissues; effective treatments for the disease are little established today. An infrared free …
tissues; effective treatments for the disease are little established today. An infrared free …
Can local heating and molecular crowders disintegrate amyloid aggregates?
The present study employs a blend of molecular dynamics simulations and a theoretical
model to explore the potential disintegration mechanism of a matured Aβ octamer, aiming to …
model to explore the potential disintegration mechanism of a matured Aβ octamer, aiming to …
Nowhere to run: oligo (p-phenylene vinylene) kills oral intracellular bacteria photodynamically
L Yuan, X Fu, W Yu, H Wei, F dong, L Zhang… - NPG Asia …, 2023 - nature.com
Bacterial infections pose a severe threat to human health due to the exacerbation of
antibiotic resistance and intracellular bacterial infections. Research suggests that oligo (p …
antibiotic resistance and intracellular bacterial infections. Research suggests that oligo (p …