Pressure reversal of general anaesthetics: A possible mechanism from molecular dynamics simulations

P. L. Chau, P. Jedlovszky, P. N.M. Hoang, S. Picaud

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

In this work, we performed computer simulations of halothane embedded in a fully hydrated dimyristoylphosphatidylcholine (DMPC) membrane. Since the action of general anaesthetics was known to be pressure dependent, we carried out the simulations performed under physiological conditions and also at elevated pressures (i.e., 2 × 107 Pa and 4 × 107 Pa). The results clearly show that at high pressures the halothane molecules tend to cluster together. Based on these results, we propose a possible mechanism for the pressure reversal of anaesthesia.

Original languageEnglish
Pages (from-to)128-134
Number of pages7
JournalJournal of Molecular Liquids
Volume147
Issue number1-2
DOIs
Publication statusPublished - Jul 20 2009

Keywords

  • DMPC
  • Halothane
  • High pressure
  • Molecular dynamics simulations
  • Pressure reversal

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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