(Q41969921)

English

Atomic and dynamic insights into the beneficial effect of the 1,4-naphthoquinon-2-yl-L-tryptophan inhibitor on Alzheimer's Aβ1-42 dimer in terms of aggregation and toxicity.

scientific article published on 22 November 2013

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scholarly article

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24246047%20AND%20SRC:MED&resulttype=core&format=json

1 March 2020

Atomic and dynamic insights into the beneficial effect of the 1,4-naphthoquinon-2-yl-L-tryptophan inhibitor on Alzheimer's Aβ1-42 dimer in terms of aggregation and toxicity (English)

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24246047%20AND%20SRC:MED&resulttype=core&format=json

1 March 2020

Alzheimer's disease

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1

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1 March 2020

2

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1 March 2020

author name string

Weixin Xu

3

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1 March 2020

Yuguang Mu

4

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1 March 2020

Philippe Derreumaux

5

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22 November 2013

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1 March 2020

ACS Chemical Neuroscience

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1 March 2020

5

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1 March 2020

2

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1 March 2020

148-159

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Europe PubMed Central

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1 March 2020

Pulsed hydrogen-deuterium exchange mass spectrometry probes conformational changes in amyloid beta (Aβ) peptide aggregation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

The inhibitory effects of Escherichia coli maltose binding protein on β-amyloid aggregation and cytotoxicity.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Identification of small-molecule binding pockets in the soluble monomeric form of the Aβ42 peptide

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Aβ monomers transiently sample oligomer and fibril-like configurations: ensemble characterization using a combined MD/NMR approach

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Differences in β-strand populations of monomeric Aβ40 and Aβ42.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Exploring the differences between mouse mAβ(1-42) and human hAβ(1-42) for Alzheimer's disease related properties and neuronal cytotoxicity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Discrete molecular dynamics study of oligomer formation by N-terminally truncated amyloid β-protein

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

A key role for lysine residues in amyloid β-protein folding, assembly, and toxicity.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Novel APP/Aβ mutation K16N produces highly toxic heteromeric Aβ oligomers

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Dimer formation enhances structural differences between amyloid β-protein (1-40) and (1-42): an explicit-solvent molecular dynamics study

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Generic inhibition of amyloidogenic proteins by two naphthoquinone-tryptophan hybrid molecules

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Systematic validation of protein force fields against experimental data

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Investigating how peptide length and a pathogenic mutation modify the structural ensemble of amyloid beta monomer.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Structures of Aβ17-42 trimers in isolation and with five small-molecule drugs using a hierarchical computational procedure

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Disordered binding of small molecules to Aβ(12-28).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

How does a drug molecule find its target binding site?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Soluble amyloid beta-protein dimers isolated from Alzheimer cortex directly induce Tau hyperphosphorylation and neuritic degeneration

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Orally administrated cinnamon extract reduces β-amyloid oligomerization and corrects cognitive impairment in Alzheimer's disease animal models

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Amyloid-β protein oligomerization and the importance of tetramers and dodecamers in the aetiology of Alzheimer's disease

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Complete phenotypic recovery of an Alzheimer's disease model by a quinone-tryptophan hybrid aggregation inhibitor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Effects of the English (H6R) and Tottori (D7N) familial Alzheimer disease mutations on amyloid beta-protein assembly and toxicity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Structural conversion of neurotoxic amyloid-beta(1-42) oligomers to fibrils

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Structure-neurotoxicity relationships of amyloid beta-protein oligomers

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

C-terminal peptides coassemble into Abeta42 oligomers and protect neurons against Abeta42-induced neurotoxicity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Amyloid-beta protein dimers isolated directly from Alzheimer's brains impair synaptic plasticity and memory

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Role of the region 23-28 in Abeta fibril formation: insights from simulations of the monomers and dimers of Alzheimer's peptides Abeta40 and Abeta42.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

EGCG redirects amyloidogenic polypeptides into unstructured, off-pathway oligomers

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Canonical sampling through velocity rescaling

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

3D structure of Alzheimer's amyloid-beta(1-42) fibrils

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

GROMACS: fast, flexible, and free

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Prediction of "aggregation-prone" and "aggregation-susceptible" regions in proteins associated with neurodegenerative diseases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Small assemblies of unmodified amyloid beta-protein are the proximate neurotoxin in Alzheimer's disease

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Folding proteins in fatal ways

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Protein folding and misfolding

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Unraveling the secrets of Alzheimer's beta-amyloid fibrils

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

A structural model for Alzheimer's beta -amyloid fibrils based on experimental constraints from solid state NMR

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Solution structure of the Alzheimer amyloid beta-peptide (1-42) in an apolar microenvironment. Similarity with a virus fusion domain

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Paradigm shifts in Alzheimer's disease and other neurodegenerative disorders: the emerging role of oligomeric assemblies

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Naturally secreted oligomers of amyloid beta protein potently inhibit hippocampal long-term potentiation in vivo

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

The Alzheimer's peptide a beta adopts a collapsed coil structure in water

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Interior and surface of monomeric proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

X-ray diffraction from intraneuronal paired helical filaments and extraneuronal amyloid fibers in Alzheimer disease indicates cross-beta conformation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

5 June 2018

Effect of the Tottori familial disease mutation (D7N) on the monomers and dimers of Aβ40 and Aβ42.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Molecular mechanism of the inhibition of EGCG on the Alzheimer Aβ(1-42) dimer.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Carnosine inhibits Aβ(42) aggregation by perturbing the H-bond network in and around the central hydrophobic cluster.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Methylations of tryptophan-modified naphthoquinone affect its inhibitory potential toward Aβ aggregation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Dimerization of the full-length Alzheimer amyloid β-peptide (Aβ42) in explicit aqueous solution: a molecular dynamics study

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Key residues for the oligomerization of Aβ42 protein in Alzheimer's disease.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Comparing the folding free-energy landscapes of Abeta42 variants with different aggregation properties

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

The Alzheimer beta-amyloid (Abeta(1-39)) dimer in an implicit solvent

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Targeting the early steps of Abeta16-22 protofibril disassembly by N-methylated inhibitors: a numerical study.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

A temperature predictor for parallel tempering simulations.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Small molecule inhibitors of aggregation indicate that amyloid beta oligomerization and fibrillization pathways are independent and distinct

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Preparation of amyloid beta-protein for structural and functional studies

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Structure and orientation of peptide inhibitors bound to beta-amyloid fibrils.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

A molecular switch in amyloid assembly: Met35 and amyloid beta-protein oligomerization

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Identification and characterization of key kinetic intermediates in amyloid beta-protein fibrillogenesis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

18 August 2018

Distinct Dimerization for Various Alloforms of the Amyloid-Beta Protein: Aβ1–40, Aβ1–42, and Aβ1–40(D23N)

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

2 December 2018

Monte Carlo Study of the Formation and Conformational Properties of Dimers of Aβ42 Variants

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3930991

2 December 2018

X-ray diffraction studies on amyloid filaments

1 reference

https://pubmed.ncbi.nlm.nih.gov/24246047

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Surface structure of amyloid-beta fibrils contributes to cytotoxicity

1 reference

https://pubmed.ncbi.nlm.nih.gov/24246047

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Inhibition of Alzheimer's amyloidosis by peptides that prevent beta-sheet conformation

1 reference

https://pubmed.ncbi.nlm.nih.gov/24246047

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Atomic-level investigations on the amyloid-β dimerization process and its driving forces in water

1 reference

https://pubmed.ncbi.nlm.nih.gov/24246047

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Arrest of beta-amyloid fibril formation by a pentapeptide ligand

1 reference

https://pubmed.ncbi.nlm.nih.gov/24246047

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A strategy for designing inhibitors of beta-amyloid toxicity

1 reference

https://pubmed.ncbi.nlm.nih.gov/24246047

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Residual structure in the Alzheimer's disease peptide: probing the origin of a central hydrophobic cluster

1 reference

https://pubmed.ncbi.nlm.nih.gov/24246047

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Exploring protein-ligand recognition with Binding MOAD

1 reference

https://pubmed.ncbi.nlm.nih.gov/24246047

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/CN400197X

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Europe PubMed Central

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1 March 2020

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24246047%20AND%20SRC:MED&resulttype=core&format=json

1 March 2020

1 reference

Europe PubMed Central

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1 March 2020

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