Concentration Effects Of Volatile Anesthetics On The Properties Of Model Membranes: A Coarse-grain Approach.

dc.creatorPickholz, Mónica
dc.creatorSaiz, Leonor
dc.creatorKlein, Michael L
dc.date2005-Mar
dc.date2015-11-27T13:01:56Z
dc.date2015-11-27T13:01:56Z
dc.date.accessioned2018-03-29T01:00:32Z
dc.date.available2018-03-29T01:00:32Z
dc.identifierBiophysical Journal. v. 88, n. 3, p. 1524-34, 2005-Mar.
dc.identifier0006-3495
dc.identifier10.1529/biophysj.104.044354
dc.identifierhttp://www.ncbi.nlm.nih.gov/pubmed/15613628
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/196191
dc.identifier15613628
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1296424
dc.descriptionTo gain insights into the molecular level mechanism of drug action at the membrane site, we have carried out extensive molecular dynamics simulations of a model membrane in the presence of a volatile anesthetic using a coarse-grain model. Six different anesthetic (halothane)/lipid (dimyristoylphosphatidylcholine) ratios have been investigated, going beyond the low doses typical of medical applications. The volatile anesthetics were introduced into a preassembled fully hydrated 512-molecule lipid bilayer and each of the molecular dynamics simulations were carried out at ambient conditions, using the NPT ensemble. The area per lipid increases monotonically with the halothane concentration and the lamellar spacing decreases, whereas the lipid bilayer thickness shows no appreciable differences and only a slight increase upon addition of halothane. The density profiles of the anesthetic molecules display a bimodal distribution along the membrane normal with maxima located close to the lipid-water interface region. We have studied how halothane molecules fluctuate between the two maxima of the bimodal distribution and we observed a different mechanism at low and high anesthetic concentrations. Through the investigation of the reorientational motions of the lipid tails, we found that the anesthetic molecules increase the segmental order of the lipids close to the membrane surface.
dc.description88
dc.description1524-34
dc.languageeng
dc.relationBiophysical Journal
dc.relationBiophys. J.
dc.rightsaberto
dc.rights
dc.sourcePubMed
dc.subjectAnesthetics, Inhalation
dc.subjectComputer Simulation
dc.subjectDimyristoylphosphatidylcholine
dc.subjectHalothane
dc.subjectLipid Bilayers
dc.subjectMacromolecular Substances
dc.subjectMembrane Fluidity
dc.subjectMembranes, Artificial
dc.subjectModels, Chemical
dc.subjectModels, Molecular
dc.subjectMolecular Conformation
dc.subjectMotion
dc.subjectVolatilization
dc.titleConcentration Effects Of Volatile Anesthetics On The Properties Of Model Membranes: A Coarse-grain Approach.
dc.typeArtículos de revistas


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