Suppr超能文献

嵌入动态空间上下文的细胞信号转导过程的计算建模。

Computational modeling of cellular signaling processes embedded into dynamic spatial contexts.

机构信息

Laboratory of Systems Biology, National Institute of Allergy and Infectious Diseases, National Institutes of Health, Bethesda, Maryland, USA.

出版信息

Nat Methods. 2012 Jan 29;9(3):283-9. doi: 10.1038/nmeth.1861.

Abstract

Cellular signaling processes depend on spatiotemporal distributions of molecular components. Multicolor, high-resolution microscopy permits detailed assessment of such distributions, providing input for fine-grained computational models that explore mechanisms governing dynamic assembly of multimolecular complexes and their role in shaping cellular behavior. However, it is challenging to incorporate into such models both complex molecular reaction cascades and the spatial localization of signaling components in dynamic cellular morphologies. Here we introduce an approach to address these challenges by automatically generating computational representations of complex reaction networks based on simple bimolecular interaction rules embedded into detailed, adaptive models of cellular morphology. Using examples of receptor-mediated cellular adhesion and signal-induced localized mitogen-activated protein kinase (MAPK) activation in yeast, we illustrate the capacity of this simulation technique to provide insights into cell biological processes. The modeling algorithms, implemented in a new version of the Simmune toolset, are accessible through intuitive graphical interfaces and programming libraries.

摘要

细胞信号转导过程依赖于分子成分的时空分布。多色、高分辨率显微镜可以详细评估这些分布,为精细的计算模型提供输入,这些模型探索了控制多分子复合物动态组装的机制及其在塑造细胞行为中的作用。然而,将复杂的分子反应级联和信号成分在动态细胞形态中的空间定位纳入到这些模型中是具有挑战性的。在这里,我们介绍了一种方法,通过基于简单的双分子相互作用规则,自动生成复杂反应网络的计算表示,这些规则嵌入到细胞形态的详细、自适应模型中,从而解决这些挑战。我们使用了受体介导的细胞黏附和信号诱导的局部有丝分裂原激活蛋白激酶 (MAPK) 激活的例子来说明这种模拟技术提供对细胞生物学过程的见解的能力。建模算法在 Simmune 工具集的新版本中实现,可通过直观的图形界面和编程库访问。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b9c/3448286/cc630c61404b/nihms397891f1.jpg

相似文献

2
Key role of local regulation in chemosensing revealed by a new molecular interaction-based modeling method.
PLoS Comput Biol. 2006 Jul 21;2(7):e82. doi: 10.1371/journal.pcbi.0020082. Epub 2006 May 25.
3
Modeling cellular signaling: taking space into the computation.
Nat Methods. 2012 Feb 28;9(3):239-42. doi: 10.1038/nmeth.1900.
4
Computational modeling of signaling networks for eukaryotic chemosensing.
Methods Mol Biol. 2009;571:507-26. doi: 10.1007/978-1-60761-198-1_33.
5
Using Python for Spatially Resolved Modeling with Simmune.
Methods Mol Biol. 2019;1945:161-177. doi: 10.1007/978-1-4939-9102-0_7.
6
Spatial modeling of the membrane-cytosolic interface in protein kinase signal transduction.
PLoS Comput Biol. 2018 Apr 9;14(4):e1006075. doi: 10.1371/journal.pcbi.1006075. eCollection 2018 Apr.
8
SBML Level 3 package: Multistate, Multicomponent and Multicompartment Species, Version 1, Release 1.
J Integr Bioinform. 2018 Apr 20;15(1):20170077. doi: 10.1515/jib-2017-0077.
9
Leveraging modeling approaches: reaction networks and rules.
Adv Exp Med Biol. 2012;736:517-30. doi: 10.1007/978-1-4419-7210-1_30.
10
Modeling signaling networks with different formalisms: a preview.
Methods Mol Biol. 2013;1021:89-105. doi: 10.1007/978-1-62703-450-0_5.

引用本文的文献

1
drexml: A command line tool and Python package for drug repurposing.
Comput Struct Biotechnol J. 2024 Mar 1;23:1129-1143. doi: 10.1016/j.csbj.2024.02.027. eCollection 2024 Dec.
2
Could artificial intelligence revolutionize the development of nanovectors for gene therapy and mRNA vaccines?
Nano Today. 2022 Dec;47. doi: 10.1016/j.nantod.2022.101665. Epub 2022 Nov 7.
3
4
A systems approach to investigate GPCR-mediated Ras signaling network in chemoattractant sensing.
Mol Biol Cell. 2022 Mar 1;33(3):ar23. doi: 10.1091/mbc.E20-08-0545. Epub 2021 Dec 15.
5
Programmatic modeling for biological systems.
Curr Opin Syst Biol. 2021 Sep;27. doi: 10.1016/j.coisb.2021.05.004. Epub 2021 May 24.
6
Molecular Mechanisms of the Toll-Like Receptor, STING, MAVS, Inflammasome, and Interferon Pathways.
mSystems. 2021 Jun 29;6(3):e0033621. doi: 10.1128/mSystems.00336-21.
7
Quantifying the roles of space and stochasticity in computer simulations for cell biology and cellular biochemistry.
Mol Biol Cell. 2021 Jan 15;32(2):186-210. doi: 10.1091/mbc.E20-08-0530. Epub 2020 Nov 25.
8
NERDSS: A Nonequilibrium Simulator for Multibody Self-Assembly at the Cellular Scale.
Biophys J. 2020 Jun 16;118(12):3026-3040. doi: 10.1016/j.bpj.2020.05.002. Epub 2020 May 16.
9
The Beacon Calculus: A formal method for the flexible and concise modelling of biological systems.
PLoS Comput Biol. 2020 Mar 9;16(3):e1007651. doi: 10.1371/journal.pcbi.1007651. eCollection 2020 Mar.
10
Mechanistic Models of Cellular Signaling, Cytokine Crosstalk, and Cell-Cell Communication in Immunology.
Front Immunol. 2019 Sep 25;10:2268. doi: 10.3389/fimmu.2019.02268. eCollection 2019.

本文引用的文献

1
Detailed simulations of cell biology with Smoldyn 2.1.
PLoS Comput Biol. 2010 Mar 12;6(3):e1000705. doi: 10.1371/journal.pcbi.1000705.
2
Spontaneous assembly and active disassembly balance adherens junction homeostasis.
Proc Natl Acad Sci U S A. 2010 Feb 23;107(8):3528-33. doi: 10.1073/pnas.0911027107. Epub 2010 Feb 2.
3
Molecular bases of cell-cell junctions stability and dynamics.
Cold Spring Harb Perspect Biol. 2009 Nov;1(5):a002998. doi: 10.1101/cshperspect.a002998.
4
Lipid rafts as a membrane-organizing principle.
Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621.
5
Characterizing the initial encounter complex in cadherin adhesion.
Structure. 2009 Aug 12;17(8):1075-81. doi: 10.1016/j.str.2009.06.012. Epub 2009 Jul 30.
6
Internal coarse-graining of molecular systems.
Proc Natl Acad Sci U S A. 2009 Apr 21;106(16):6453-8. doi: 10.1073/pnas.0809908106. Epub 2009 Apr 3.
8
Integrins in immunity.
J Cell Sci. 2009 Jan 15;122(Pt 2):215-25. doi: 10.1242/jcs.019117.
9
Resolving cadherin interactions and binding cooperativity at the single-molecule level.
Proc Natl Acad Sci U S A. 2009 Jan 6;106(1):109-14. doi: 10.1073/pnas.0811350106. Epub 2008 Dec 29.
10
Protein scaffolds in MAP kinase signalling.
Cell Signal. 2009 Apr;21(4):462-9. doi: 10.1016/j.cellsig.2008.11.013. Epub 2008 Dec 3.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验