Molecular dynamics simulation study of the interaction of trehalose with lipid membranes.

@article{Villarreal2004MolecularDS,
  title={Molecular dynamics simulation study of the interaction of trehalose with lipid membranes.},
  author={Marcos Ariel Villarreal and Sonia B D{\'i}az and Edgardo An{\'i}bal Disalvo and Guillermo G Montich},
  journal={Langmuir : the ACS journal of surfaces and colloids},
  year={2004},
  volume={20 18},
  pages={7844-51}
}
The interactions of the cryoprotective agent trehalose with a lipid membrane made of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine at 323 K were studied by means of molecular dynamics simulations. It was observed that trehalose binds to the phospholipid headgroups with its main axis parallel to the membrane normal. Trehalose establishes hydrogen bonds with the carbonyl and phosphate groups and replaces water molecules from the lipid headgroup. Notably, the number of hydrogen bonds (HBs) that the… CONTINUE READING

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