An overview of several inhibitors for Alzheimer's disease: characterization and failure
Amyloid beta (Aβ) oligomers are the most neurotoxic aggregates causing neuronal death
and cognitive damage. A detailed elucidation of the aggregation pathways from oligomers to …
and cognitive damage. A detailed elucidation of the aggregation pathways from oligomers to …
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 …
Transferable and polarizable coarse grained model for proteins─ ProMPT
The application of classical molecular dynamics (MD) simulations at atomic resolution (fine-
grained level, FG), to most biomolecular processes, remains limited because of the …
grained level, FG), to most biomolecular processes, remains limited because of the …
Coarse-grained MD simulations reveal beta-amyloid fibrils of various sizes bind to interfacial liquid-ordered and liquid-disordered regions in phase separated lipid …
The membrane binding behaviors of beta-amyloid fibrils, dimers to pentamers, from solution
to lipid raft surfaces, were investigated using coarse-grained (CG) MD simulations. Our CG …
to lipid raft surfaces, were investigated using coarse-grained (CG) MD simulations. Our CG …
Dual Role of Anionic Lipids in Amyloid Aggregation
Neurodegenerative diseases, such as Alzheimer's, Parkinson's, and Huntington's, affect
millions worldwide and share a common feature: the aggregation of intrinsically disordered …
millions worldwide and share a common feature: the aggregation of intrinsically disordered …
Binding models of Aβ42 peptide with membranes explored by molecular simulations
K Wang, X Shao, W Cai - Journal of Chemical Information and …, 2022 - ACS Publications
One of the factors contributing to the toxicity of amyloid-β (Aβ) peptides is the destruction of
membrane integrity through Aβ peptide–membrane interactions. The binding of Aβ peptides …
membrane integrity through Aβ peptide–membrane interactions. The binding of Aβ peptides …
A brief history of amyloid aggregation simulations
Amyloid proteins are characterized by their tendency to aggregate into amyloid fibrils, which
are often associated with devastating diseases. Aggregation pathways typically involve …
are often associated with devastating diseases. Aggregation pathways typically involve …
Mechanistic insights into the inhibition of amyloid-β aggregation by chitosan
Neurodegeneration related to Alzheimer's disease has long been linked to the accumulation
of abnormal aggregates of amyloid-β (Aβ) peptides. Pre-fibrillar oligomeric intermediates of …
of abnormal aggregates of amyloid-β (Aβ) peptides. Pre-fibrillar oligomeric intermediates of …
Effects of applied surface-tension on membrane-assisted Aβ aggregation
Accumulation of protein-based (Aβ) aggregates on cellular membranes with varying
structural properties is commonly recognized as the key step in Alzheimer's pathogenesis …
structural properties is commonly recognized as the key step in Alzheimer's pathogenesis …
Inhibition of Aβ16–22 Aggregation by [TEA]+[Ms]− Follows Weakening of the Hydrophobic Core and Sequestration of Peptides in Ionic Liquid Nanodomains
We developed a coarse-grained model for the protic ionic liquid, triethylammonium mesylate
([TEA]+[Ms]−), to characterize its inhibitory effects on amyloid aggregation using the …
([TEA]+[Ms]−), to characterize its inhibitory effects on amyloid aggregation using the …