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

Fingerprint

anesthetics
Anesthetics
General Anesthetics
Molecular dynamics
molecular dynamics
Computer simulation
Halothane
anesthesia
simulation
Dimyristoylphosphatidylcholine
computerized simulation
membranes
Membranes
Molecules
molecules

Keywords

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

ASJC Scopus subject areas

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

Cite this

Pressure reversal of general anaesthetics : A possible mechanism from molecular dynamics simulations. / Chau, P. L.; Jedlovszky, P.; Hoang, P. N M; Picaud, S.

In: Journal of Molecular Liquids, Vol. 147, No. 1-2, 20.07.2009, p. 128-134.

Research output: Contribution to journalArticle

@article{c73e897c89324933bcf4d929f1c36360,
title = "Pressure reversal of general anaesthetics: A possible mechanism from molecular dynamics simulations",
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.",
keywords = "DMPC, Halothane, High pressure, Molecular dynamics simulations, Pressure reversal",
author = "Chau, {P. L.} and P. Jedlovszky and Hoang, {P. N M} and S. Picaud",
year = "2009",
month = "7",
day = "20",
doi = "10.1016/j.molliq.2008.09.005",
language = "English",
volume = "147",
pages = "128--134",
journal = "Journal of Molecular Liquids",
issn = "0167-7322",
publisher = "Elsevier",
number = "1-2",

}

TY - JOUR

T1 - Pressure reversal of general anaesthetics

T2 - A possible mechanism from molecular dynamics simulations

AU - Chau, P. L.

AU - Jedlovszky, P.

AU - Hoang, P. N M

AU - Picaud, S.

PY - 2009/7/20

Y1 - 2009/7/20

N2 - 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.

AB - 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.

KW - DMPC

KW - Halothane

KW - High pressure

KW - Molecular dynamics simulations

KW - Pressure reversal

UR - http://www.scopus.com/inward/record.url?scp=67349285718&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=67349285718&partnerID=8YFLogxK

U2 - 10.1016/j.molliq.2008.09.005

DO - 10.1016/j.molliq.2008.09.005

M3 - Article

AN - SCOPUS:67349285718

VL - 147

SP - 128

EP - 134

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

SN - 0167-7322

IS - 1-2

ER -