Oligomer formation of amyloid-beta studied by new constant pH simulations
| Project/Area Number |
16K18531
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Biophysics
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| Research Institution | Institute for Molecular Science |
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Principal Investigator |
Itoh Satoru 分子科学研究所, 理論・計算分子科学研究領域, 助教 (90595381)
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| Project Period (FY) |
2016-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| Budget Amount *help |
¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2018: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2017: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2016: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | アミロイド線維 / 分子シミュレーション / アミロイド / 生物物理 / 生体分子 |
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| Outline of Final Research Achievements |
The oligomer formation process of Abeta(29-42), which is a fragment of the amyloid beta (Abeta) peptide, was studied by Coulomb replica-permutation molecular dynamics simulations. It was found that an oligomer increased in size by addition of a monomer to the oligomer sequentially.
We also performed Coulomb replica-permutation molecular dynamics simulations to clarify the dimer formation process of the full-length Abeta peptides. As a result, it was found that the intramolecular beta-sheet structure accelerated the formation of an intermolecular beta-sheet structure.
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| Academic Significance and Societal Importance of the Research Achievements |
アミロイドベータペプチド(Abeta)が形成するオリゴマーはアルツハイマー病との関連が指摘されており、アルツハイマー病を克服するためにはオリゴマー形成過程の解明は不可欠である。本研究によりAbetaのオリゴマー形成初期過程を原子レベルで明らかにした。本研究を発展させることでアルツハイマー病の治療薬開発に貢献できると考える。
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Report
(4 results)
Research Products
(20 results)
