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

被引：13

作者：

Chau, P. -L. ^{[1
]}

Jedlovszky, P. ^{[2
,3
]}

Hoang, P. N. M. ^{[4
]}

Picaud, S. ^{[4
]}

机构：

[1] Inst Pasteur, CNRS, URA 2185, F-75724 Paris, France

[2] Eotvos Lorand Univ Sci, Inst Chem, Lab Intefaces & Nanosize Syst, H-1117 Budapest, Hungary

[3] HAS Res Grp Tech Analyt Chem, H-1111 Budapest, Hungary

[4] Univ Franche Comte, CNRS, UMR 6213, Inst UTINAM, F-25030 Besancon, France

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2009年 / 147卷 / 1-2期

基金：

英国生物技术与生命科学研究理事会; 匈牙利科学研究基金会;

关键词：

Pressure reversal; Molecular dynamics simulations; Halothane; DMPC; High pressure; GABA(A); ISOFLURANE; RECEPTORS; ANTAGONISM; ISOMERS; ALCOHOL; SITES;

D O I：

10.1016/j.molliq.2008.09.005

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 x 10(7) Pa and 4 x 10(7) 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. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：128 / 134

页数：7

共 39 条

[1]

[Anonymous], STUDIEN NARKOSE ZUGL

[2] A possible mechanism for pressure reversal of general anaesthetics from molecular simulations [J].