Multi-step formation of a hemifusion diaphragm for vesicle fusion revealed by all-atom molecular dynamics simulations

Please use this identifier to cite or link to this item: https://ir.lib.ncu.edu.tw/handle/987654321/101006

Title:	Multi-step formation of a hemifusion diaphragm for vesicle fusion revealed by all-atom molecular dynamics simulations
Authors:	蔡惠旭;Tsai, Hui-Hsu Gavin;Chang, Che-Ming;Lee, Jian-Bin
Contributors:	理學院化學學系
Keywords:	Algorithms;Calcium - chemistry;Computational Biology;Energy landscape;Hemifusion diaphragm;Hemifusion diaphragm thinning;Lipid Bilayers - chemistry;Membrane Fluidity;Membrane fusion;Membrane Fusion - physiology;Models, Molecular;Molecular Dynamics Simulation;Multi-step event;Phosphatidylethanolamines - chemistry;Unilamellar Liposomes - chemistry;Unilamellar Liposomes - metabolism;Water - chemistry
Date:	2014-01-01
Issue Date:	2026-04-21 14:20:49 (UTC+8)
Publisher:	Elsevier;Netherlands: Elsevier B.V
Abstract:	摘要： Membrane fusion is essential for intracellular trafficking and virus infection, but the molecular mechanisms underlying the fusion process remain poorly understood. In this study, we employed all-atom molecular dynamics simulations to investigate the membrane fusion mechanism using vesicle models which were pre-bound by inter-vesicle Ca2+-lipid clusters to approximate Ca2+-catalyzed fusion. Our results show that the formation of the hemifusion diaphragm for vesicle fusion is a multi-step event. This result contrasts with the assumptions made in most continuum models. The neighboring hemifused states are separated by an energy barrier on the energy landscape. The hemifusion diaphragm is much thinner than the planar lipid bilayers. The thinning of the hemifusion diaphragm during its formation results in the opening of a fusion pore for vesicle fusion. This work provides new insights into the formation of the hemifusion diaphragm and thus increases understanding of the molecular mechanism of membrane fusion. This article is part of a Special Issue entitled: Membrane Structure and Function: Relevance in the Cell's Physiology, Pathology and Therapy. [Display omitted] •Formation of hemifusion diaphragm for vesicle fusion is a multi-step event.•Hemifusion diaphragm is much thinner than planar lipid bilayers.•Thinning of the hemifusion diaphragm results in the opening of a fusion pore. 其他題名： Biochim Biophys Acta 出版者： Netherlands: Elsevier B.V 出版日期： 2014-06-01 出處： Biochimica et biophysica acta, 2014-06, Vol.1838 (6), p.1529-1535 資源來源： Elsevier ScienceDirect Journals Complete 版權： 2014 Elsevier B.V. 版權： Copyright © 2014 Elsevier B.V. All rights reserved. 識別號： ISSN: 0005-2736 識別號： ISSN: 0006-3002 識別號： EISSN: 1879-2642 識別號： DOI: 10.1016/j.bbamem.2014.01.018 識別號： PMID: 24468064
Appears in Collections:	[Department of Chemistry] journal & Dissertation

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