Distinct oligomerization and fibrillization dynamics of amyloid core sequences of amyloid-beta and islet amyloid polypeptide

文献情報

出版日 2017-10-11

DOI 10.1039/C7CP05695H

インパクトファクター 3.676

著者

Yunxiang Sun, Bo Wang, Xinwei Ge, Feng Ding

原文を見る

要旨

A direct observation of amyloid aggregation from isolated peptides to cross-β fibrils is crucial for understanding the nucleation-dependence process, but the corresponding macroscopic timescales impose a major computational challenge. Using rapid all-atom discrete molecular dynamics simulations, we capture the oligomerization and fibrillization dynamics of the amyloid core sequences of amyloid-β (Aβ) in Alzheimer's disease and islet amyloid polypeptide (IAPP) in type-2 diabetes, namely Aβ16–22 and IAPP22–28. Both peptides and their mixture spontaneously assemble into cross-β aggregates in silico, but follow distinct pathways. Aβ16–22 is highly aggregation-prone with a funneled free energy basin toward multi-layer β-sheet aggregates. IAPP22–28, on the other hand, features the accumulation of unstructured oligomers before the nucleation of β-sheets and growth into double-layer β-sheet aggregates. In the presence of Aβ16–22, the aggregation of IAPP22–28 is promoted by forming co-aggregated multi-layer β-sheets. Our study offers a detailed molecular insight to the long-postulated oligomerization-nucleation process in the amyloid aggregations.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Distinct oligomerization and fibrillization dynamics of amyloid core sequences of amyloid-beta and islet amyloid polypeptide

文献情報

おすすめジャーナル

関連文献

Attachment of glycosaminoglycan oligosaccharides to thiol-derivatised gold surfaces

Cyclopropyl fatty acids implicate a radical but not a cation as an intermediate in P450BM3-catalysed hydroxylations

Flexible enzymatic and chemo-enzymatic approaches to a broad range of uridine-diphospho-sugars

Ni(iii) vs. Ni(ii)-thiyl radical: charge-delocalisation in a binuclear Ni(iii)Ni(ii)-dithiolate complex

Water-soluble supramolecular bowls formed by intra-clipping of resorcin[4]arene-based ligands with Pd(ii) ions

Stereochemistry of contiguous cyclopropane formation from cascade cyclization of a skipped dienyl homoallyl triflate

Electrical property and water repellency of a networked monolayer film prepared from Au nanoparticles

Photon-driven nanomechanical cyclic motion

Chemistry of materials under extreme high pressure-high-temperature conditions

Monitoring the formation of biosilica catalysed by histidine-tagged silicatein

こちらもおすすめ

環戊烷-1,3-二甲酸甲酯はどのように合成されますか？

4-メトキシ-1,2,3-スチアゼ-3,5-ジオンとは何ですか？

プロスタグランジンA2について「に適用される法規ガイドラインは何ですか？'

4-アミノ-1-ナフタレン sulfonic 酸についての物理化学的性質は何ですか？

N-GlcNAc-生物素を取り扱う際の実験室安全事項は何ですか？

3-アミノメチルフローラノピペリジン-1-カルボニル酸テルブチルエステルとは何ですか？

6-溴-1-甲基-1H-ベンゾ[d][1,2,3]三氮唑はどのように合成されますか？

4-硫代尿苷はどのように合成されますか？

ブレインナトリユリックペプチド32ラットとは何ですか？

1-(3-氮杂啶)-4-羟基哌啶双盐酸盐の物理化学的性質は何ですか？

掲載誌

Physical Chemistry Chemical Physics

おすすめ化合物

1-(4-Aminophenyl)-1,3,3-trimethyl-5-indanamine

N-Ethyl-N-nitroso-2-propanamine

Diisopropylphosphoramidous dichloride

4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine

N-[(5,6-Dichloro-1H-benzimidazol-2-yl)methyl]-9-(1-methyl-1H-pyrazol-4-yl)-2-(4-morpholinyl)-9H-purin-6-amine

おすすめサプライヤー