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An adaptive coarse graining method for signal transduction in three dimensions
Michelle N Archuleta1, Jason E McDermott2, Jeremy S Edwards3
1Chemical and Nuclear Engineering Department, University of New Mexico, Albuquerque, NM 87131, USA.
Fundamenta Informaticae
|December 21, 2013
Summary
Cell membrane receptor clustering and diffusion dynamics influence signal transduction. A new Monte Carlo method reveals an "adaptor protein hopping" mechanism, enhancing signaling efficiency and pathway crosstalk.
Area of Science:
- Cellular Biology
- Biophysics
- Computational Biology
Background:
- Plasma membrane organization, including receptor mobility and clustering, is crucial for signal transduction.
- Adaptor proteins mediate signaling pathways from the cell surface to the nucleus.
- Understanding receptor dynamics and complex formation is vital for deciphering cellular signaling.
Purpose of the Study:
- To investigate the impact of receptor diffusion, clustering, and spatial heterogeneity on signal transduction.
- To model receptor-adaptor protein complex formation dynamics in three dimensions.
- To develop and apply an adaptive coarse-grained Monte Carlo method for simulating cellular signaling.
Main Methods:
- Developed an adaptive coarse-grained Monte Carlo method with spatial resolution on the 2D plasma membrane and 3D cytoplasm.
- Employed a multi-resolution approach to model different cellular regions at varying detail levels.
- Analyzed the effects of diffusion, clustering, and membrane corralling on receptor association and complex formation.
Main Results:
- Diffusion significantly impacts receptor-receptor dimerization and receptor-adaptor protein complex formation kinetics.
- Observed an "adaptor protein hopping" mechanism, where adaptor proteins form transient complexes with receptors.
- Demonstrated that clustered receptors enhance signaling efficiency through increased adaptor protein residence time and partner switching.
Conclusions:
- The "adaptor protein hopping" mechanism explains increased signaling efficiency in clustered receptors.
- This mechanism may lead to concurrent or sequential activation of multiple signaling pathways, causing biological crosstalk.
- The developed Monte Carlo method provides a powerful tool for studying complex cellular signaling dynamics.
