Capturing the Molecular Mechanism of Anesthetic Action by Simulation Methods

Victoria Oakes, Carmen Domene

Research output: Contribution to journalReview article

1 Citation (Scopus)
19 Downloads (Pure)

Abstract

Significant computational efforts have been focused toward exposing the molecular mechanisms of anesthesia in recent years. In the past decade, this has been aided considerably by a momentous increase in the number of high-resolution structures of ion channels, which are putative targets for the anesthetic agents, as well as advancements in high-performance computing technologies. In this review, typical simulation methods to investigate the behavior of model membranes and membrane-protein systems are briefly reviewed, and related computational studies are surveyed. Both lipid- and protein-mediated mechanisms of anesthetic action are scrutinized, focusing on the behavior of ion channels in the latter case.

Original languageEnglish
Pages (from-to)5998-6014
Number of pages17
JournalChemical Reviews
Volume119
Issue number9
Early online date25 Oct 2018
DOIs
Publication statusPublished - 8 May 2019

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Capturing the Molecular Mechanism of Anesthetic Action by Simulation Methods. / Oakes, Victoria; Domene, Carmen.

In: Chemical Reviews, Vol. 119, No. 9, 08.05.2019, p. 5998-6014.

Research output: Contribution to journalReview article

@article{3a343728584c48438606071c1b322fb8,
title = "Capturing the Molecular Mechanism of Anesthetic Action by Simulation Methods",
abstract = "Significant computational efforts have been focused toward exposing the molecular mechanisms of anesthesia in recent years. In the past decade, this has been aided considerably by a momentous increase in the number of high-resolution structures of ion channels, which are putative targets for the anesthetic agents, as well as advancements in high-performance computing technologies. In this review, typical simulation methods to investigate the behavior of model membranes and membrane-protein systems are briefly reviewed, and related computational studies are surveyed. Both lipid- and protein-mediated mechanisms of anesthetic action are scrutinized, focusing on the behavior of ion channels in the latter case.",
author = "Victoria Oakes and Carmen Domene",
year = "2019",
month = "5",
day = "8",
doi = "10.1021/acs.chemrev.8b00366",
language = "English",
volume = "119",
pages = "5998--6014",
journal = "Chemical Reviews",
issn = "0009-2665",
publisher = "American Chemical Society",
number = "9",

}

TY - JOUR

T1 - Capturing the Molecular Mechanism of Anesthetic Action by Simulation Methods

AU - Oakes, Victoria

AU - Domene, Carmen

PY - 2019/5/8

Y1 - 2019/5/8

N2 - Significant computational efforts have been focused toward exposing the molecular mechanisms of anesthesia in recent years. In the past decade, this has been aided considerably by a momentous increase in the number of high-resolution structures of ion channels, which are putative targets for the anesthetic agents, as well as advancements in high-performance computing technologies. In this review, typical simulation methods to investigate the behavior of model membranes and membrane-protein systems are briefly reviewed, and related computational studies are surveyed. Both lipid- and protein-mediated mechanisms of anesthetic action are scrutinized, focusing on the behavior of ion channels in the latter case.

AB - Significant computational efforts have been focused toward exposing the molecular mechanisms of anesthesia in recent years. In the past decade, this has been aided considerably by a momentous increase in the number of high-resolution structures of ion channels, which are putative targets for the anesthetic agents, as well as advancements in high-performance computing technologies. In this review, typical simulation methods to investigate the behavior of model membranes and membrane-protein systems are briefly reviewed, and related computational studies are surveyed. Both lipid- and protein-mediated mechanisms of anesthetic action are scrutinized, focusing on the behavior of ion channels in the latter case.

UR - http://www.scopus.com/inward/record.url?scp=85065487121&partnerID=8YFLogxK

U2 - 10.1021/acs.chemrev.8b00366

DO - 10.1021/acs.chemrev.8b00366

M3 - Review article

VL - 119

SP - 5998

EP - 6014

JO - Chemical Reviews

JF - Chemical Reviews

SN - 0009-2665

IS - 9

ER -