Membrane potential and dynamics in a ternary lipid mixture: insights from molecular dynamics simulations

Physical Chemistry Chemical Physics : PCCP
Xubo LinAlemayehu A Gorfe

Abstract

Transmembrane potential (Vm) plays critical roles in cell signaling and other functions. However, the impact of Vm on the structure and dynamics of membrane lipids and proteins, which are critical for the regulation of signaling, is still an open question. All-atom molecular dynamics (MD) simulation is emerging as a useful technique to address this issue. Previous atomistic MD simulations of pure or binary model membranes indicated that both ion imbalance and electric field can be used to generate Vm, but both approaches failed to yield structural changes in lipids with statistical significance. We hypothesized that a possible reason for this could be oversimplified membrane composition or limited sampling. In this work, we tested if and how Vm modulates the structure and dynamics of lipids in a physiologically relevant model membrane. Using a detailed side-by-side comparison, we first show that while both ion imbalance and electric field generate Vm in our complex membranes, only the latter could produce physiologically relevant Vm. We further show that double bonds in lipid acyl chains have a relatively large sensitivity to Vm. A single-bilayer model with an electric field showed the highest sensitivity in simulations under t...Continue Reading

References

Jan 1, 1984·Annual Review of Physiology·B Sakmann, E Neher
Mar 21, 1983·Biochimica Et Biophysica Acta·J H Davis
Feb 1, 1996·Journal of Molecular Graphics·W HumphreyK Schulten
Mar 1, 1985·Physical Review A: General Physics·W G Hoover
May 27, 2003·Apoptosis : an International Journal on Programmed Cell Death·J D LyA Lawen
Aug 29, 2003·Biophysical Journal·Rainer A BöckmannHelmut Grubmüller
Jan 7, 2005·The Journal of Chemical Physics·Jonathan N SachsThomas B Woolf
Mar 15, 2005·Biophysical Journal·Mounir Tarek
Oct 13, 2006·Nature·Gilbert Di Paolo, Pietro De Camilli
May 23, 2007·Proceedings of the National Academy of Sciences of the United States of America·Benjamin E SteinbergSergio Grinstein
Oct 24, 2007·The Journal of Physical Chemistry. B·P Thomas Vernier, Matthew J Ziegler
Jan 25, 2008·Nature Reviews. Molecular Cell Biology·Gerrit van MeerGerald W Feigenson
Mar 21, 2008·Journal of Computational Chemistry·Sunhwan JoWonpil Im
Apr 17, 2008·The Journal of Physical Chemistry. B·Lucie DelemotteMounir Tarek
May 26, 2010·The Journal of Physical Chemistry. B·Jeffery B KlaudaRichard W Pastor
Nov 4, 2010·Proceedings of the National Academy of Sciences of the United States of America·Yoann CoteHarold A Scheraga
Oct 18, 2011·Biochimica Et Biophysica Acta·James GumbartBenoît Roux
Oct 18, 2011·American Journal of Physiology. Heart and Circulatory Physiology·Shampa ChatterjeeAron B Fisher
May 9, 2012·Proceedings of the National Academy of Sciences of the United States of America·Lorant JanosiAlemayehu A Gorfe
May 31, 2012·The Journal of Membrane Biology·Lucie Delemotte, Mounir Tarek
Sep 22, 2012·Journal of the American Chemical Society·Zhenlong LiAlemayehu A Gorfe
Jun 20, 2013·The Journal of Membrane Biology·Andraž PolakMounir Tarek
Jul 25, 2013·Frontiers in Physiology·Ming Yang, William J Brackenbury
Aug 9, 2013·The Journal of Physical Chemistry. B·Richard M VenableRichard W Pastor
Aug 19, 2014·Journal of Computational Chemistry·Emilia L WuWonpil Im
Oct 12, 2010·Journal of Chemical Theory and Computation·Lorant Janosi, Alemayehu A Gorfe
Dec 23, 2015·Nature Biotechnology·Cathryn R CadwellAndreas S Tolias
Feb 24, 2016·Biochimica Et Biophysica Acta·Jan MalinskyMiroslava Opekarova
Mar 26, 2016·Journal of Chemical Theory and Computation·Josef MelcrPavel Jungwirth
Apr 27, 2016·Proceedings of the National Academy of Sciences of the United States of America·Jason T Sengel, Mark I Wallace
May 11, 2016·The Journal of Physical Chemistry. B·Dennis S BruhnHimanshu Khandelia
Nov 1, 2016·The Journal of Physical Chemistry. B·Xubo LinIlya Levental
Jul 22, 2017·Journal of Chemical Theory and Computation·Hui LiBenoît Roux

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Citations

Sep 17, 2020·The Journal of Chemical Physics·Xubo Lin, Alemayehu A Gorfe
Sep 15, 2020·Physical Chemistry Chemical Physics : PCCP·Abhinav SrivastavaAnanya Debnath
Jul 10, 2021·The Journal of Chemical Physics·Sheeba Malik, Ananya Debnath
Sep 14, 2021·Physical Chemistry Chemical Physics : PCCP·Abhilash Sahoo, Silvina Matysiak
Sep 29, 2021·Langmuir : the ACS Journal of Surfaces and Colloids·Valeria NeleMolly M Stevens

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Methods Mentioned

BETA
NMR

Software Mentioned

GROMACS
CHARMM36
GUI
CHARMM

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