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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.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1021/acs.chemrev.8b00366

Authors


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Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry
Role:
Author
ORCID:
0000-0001-7115-4232


Publisher:
American Chemical Society
Journal:
Chemical Reviews More from this journal
Volume:
119
Issue:
9
Pages:
5998-6014
Publication date:
2018-10-25
Acceptance date:
2018-10-22
DOI:
EISSN:
1520-6890
ISSN:
0009-2665
Pmid:
30358391


Language:
English
Keywords:
Pubs id:
pubs:936637
UUID:
uuid:1c9112f8-8ae1-4d00-9cd1-f9621ac5e3f6
Local pid:
pubs:936637
Source identifiers:
936637
Deposit date:
2019-03-25

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