Effects of anesthetics on the structure of a phospholipid bilayer: molecular dynamics investigation of halothane in the hydrated liquid crystal phase of dipalmitoylphosphatidylcholine.

@article{Tu1998EffectsOA,
  title={Effects of anesthetics on the structure of a phospholipid bilayer: molecular dynamics investigation of halothane in the hydrated liquid crystal phase of dipalmitoylphosphatidylcholine.},
  author={K. Tu and M. Tarek and M. Klein and D. Scharf},
  journal={Biophysical journal},
  year={1998},
  volume={75 5},
  pages={
          2123-34
        }
}
We report the results of constant temperature and pressure molecular dynamics calculations carried out on the liquid crystal (Lalpha) phase of dipalmitoylphosphatidylcholine with a mole fraction of 6.5% halothane (2-3 MAC). The present results are compared with previous simulations for pure dipalmitoylphosphatidylcholine under the same conditions (Tu et al., 1995. Biophys. J. 69:2558-2562) and with various experimental data. We have found subtle structural changes in the lipid bilayer in the… Expand
81 Citations
Anesthetic molecules embedded in a lipid membrane: a computer simulation study.
  • 18
Membrane structural perturbations caused by anesthetics and nonimmobilizers: a molecular dynamics investigation.
  • 42
  • PDF
Concentration effects of volatile anesthetics on the properties of model membranes: a coarse-grain approach.
  • 51
  • PDF
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 69 REFERENCES
Molecular dynamics simulation of anesthetic-phospholipid bilayer interactions.
  • 30
Molecular dynamics investigation of the structure of a fully hydrated gel-phase dipalmitoylphosphatidylcholine bilayer.
  • 119
Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer.
  • 160
Interaction of halothane with lipid bilayers.
  • 63
Nuclear magnetic resonance studies of the interaction of general anesthetics with 1,2-dihexadecyl-sn-glycero-3-phosphorylcholine bilayer.
  • 19
  • PDF
Interactions of anesthetics with the water-hexane interface. A molecular dynamics study.
  • 55
...
1
2
3
4
5
...