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 × 10 7 Pa and 4 × 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.