2019 Fiscal Year Final Research Report
Molecular dynamics study of membrane properties of lipid bilayers with asymmetric lipid composition
| Project/Area Number |
16K21094
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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 |
Physical chemistry
Biophysics
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| Research Institution | Nagoya University |
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Principal Investigator |
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| Project Period (FY) |
2016-04-01 – 2020-03-31
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| Keywords | 細胞膜 / 肝臓細胞 / 脂質組成の非対称性 / 分子動力学計算 / リン脂質 / スフィンゴミエリン / コレステロール / ミクロドメイン |
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| Outline of Final Research Achievements |
All-atomistic molecular dynamics (MD) calculations were carried out on fully-hydrated lipid bilayer systems modeling asymmetric lipid composition between outer and inner leaflets of hepatocyte plasma membranes. Differences in membrane physico-chemical properties, such as membrane structure, degree of order, and fluidity, between outer and inner leaflets were clarified in a molecular level. Large space-scale and long time-scale MD simulations enabled to explore a molecular picture of the lateral clustering of specific lipid molecules (e.g. cholesterol) and its difference between outer and inner leaflets. Degree of correlation of membrane properties induced by the interdigitation of lipid tails was also investigated. Simulation protocol used in this research can be widely applied to other MD simulation researches with an aim to reveal membrane properties of actual cell plasma membranes.
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| Free Research Field |
物理化学, 計算化学, 生物物理学
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| Academic Significance and Societal Importance of the Research Achievements |
細胞膜は単に細胞を形作る隔壁の役割だけでなく, 細胞内で生成される物質の代謝やシグナル伝達, さらにウィルス感染経路においても重要な役割を果たしている. 本研究は細胞膜の構造的基礎となるリン脂質二重層膜について特に興味が持たれている, 内外単層膜間での物性の違い, および膜内でのミクロドメイン形成についての分子論的知見を与えるものである. 研究成果は興隆しつつある膜脂質標的型治療 (membrane-lipid therapy) や脂質標的薬剤 (lipid-targeted drugs) 研究への展開が期待される.
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