ArticleJournal of the American Chemical Society2010
The importance of hydrogen bonding between the glutamine side chains to the formation of amyloid VQIVYK parallel beta-sheets: an ONIOM DFT/AM1 study.
Article in Journal of the American Chemical Society, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed, 58 citations in OpenAlex.
- Computational study of conformational interconversion of an amyloid β double layer system.RSC advances · 2025Article
- Hydrogen bonding patterns and cooperativity in polyproline II helical bundles.Communications chemistry · 2024Article
- Detecting the Hydrogen Bond Cooperativity in a Protein β-Sheet by H/D Exchange.International journal of molecular sciences · 2022Article
- A theoretical study of polymorphism in VQIVYK fibrils.Biophysical journal · 2021Article
- Article
- Computational Insights Into the Inhibition Mechanism of Proanthocyanidin B2 on Tau Hexapeptide (PHF6) Oligomer.Frontiers in chemistry · 2021Article
- The multifunctional dopamine DBioorganic & medicinal chemistry · 2020Article
- Purpurin modulates Tau-derived VQIVYK fibrillization and ameliorates Alzheimer's disease-like symptoms in animal model.Cellular and molecular life sciences : CMLS · 2020Article
- The Structure of the Necrosome RIPK1-RIPK3 Core, a Human Hetero-Amyloid Signaling Complex.Cell · 2018Article
- Capping amyloid β-sheets of the tau-amyloid structure VQIVYK with hexapeptides designed to arrest growth. An ONIOM and density functional theory study.The journal of physical chemistry. B · 2014Article
- Article
- Overcoming the limitations of fragment merging: rescuing a strained merged fragment series targeting Mycobacterium tuberculosis CYP121.ChemMedChem · 2013Article
- The folding of acetyl(Ala)28NH2 and acetyl(Ala)40NH2 extended strand peptides into antiparallel β-sheets. A density functional theory study of β-sheets with β-turns.The journal of physical chemistry. B · 2012Article
- Comparison of β-sheets of capped polyalanine with those of the tau-amyloid structures VQIVYK and VQIINK. A density functional theory study.The journal of physical chemistry. B · 2011Article
- The Effects of Regularly Spaced Glutamine Substitutions on Alpha-Helical Peptide Structures. A DFT/ONIOM Study.Chemical physics letters · 2011Article
- Aggregation of capped hexaglycine strands into hydrogen-bonding motifs representative of pleated and rippled β-sheets, collagen, and polyglycine I and II crystal structures. A density functional theory study.The journal of physical chemistry. B · 2011Article
- Mechanism of fiber assembly: treatment of Aβ peptide aggregation with a coarse-grained united-residue force field.Journal of molecular biology · 2010Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
Abstract
We report DFT calculations indicating that beta-sheet formation involving the capped amino acid sequence VQIVYK is due (at least in part) to cooperative H-bonding between the glutamine side chains. The sequence VQIVYK has been reported to be essential for the aggregation of the tau protein into the amyloids associated with Alzheimer's disease and has been crystallized. Sheets containing only capped Q's form cooperative H-bonds between the side chains that enhance stabilization while keeping the backbones of the individual strands close to the quasi-planarity expected for a beta-sheet. Sheets containing only capped A's cannot form H-bonds between the side chains, do not interact cooperatively, and form helical structures that deviate considerably from the quasi-planarity expected for beta-sheets. Comparisons between the sheets made from capped VQIVYK's, Q's, and A's illustrate the importance of the cooperative H-bonds between the Q's to the stability of tau amyloids.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.