ArticleBiophysical journal2005
Concentration effects of volatile anesthetics on the properties of model membranes: a coarse-grain approach.
Article in Biophysical journal, 2005. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 63 citations in OpenAlex.
- Understanding the Molecular Mechanism of Anesthesia: Effect of General Anesthetics and Structurally Similar Non-Anesthetics on the Properties of Lipid Membranes.The journal of physical chemistry. B · 2023Article
- Alteration of lipid bilayer mechanics by volatile anesthetics: Insights from μs-long molecular dynamics simulations.iScience · 2022Article
- Concentration-dependent thermodynamic analysis of the partition process of small ligands into proteins.Computational and structural biotechnology journal · 2022Article
- Towards Quantum-Chemical Modeling of the Activity of Anesthetic Compounds.International journal of molecular sciences · 2021Review
- Molecular dynamics simulation study of the effect of halothane on mixed DPPC/DPPE phospholipid membranes.Journal of molecular modeling · 2018Article
- Naratriptan aggregation in lipid bilayers: perspectives from molecular dynamics simulations.Journal of molecular modeling · 2016Article
- Volatile anesthetics inhibit sodium channels without altering bulk lipid bilayer properties.The Journal of general physiology · 2014Article
- New insights into the molecular mechanisms of general anaesthetics.British journal of pharmacology · 2010Review
- Influence of vitamin C on alcohol binding to phospholipid monolayers.European biophysics journal : EBJ · 2008Article
- Interaction of anesthetics with open and closed conformations of a potassium channel studied via molecular dynamics and normal mode analysis.Biophysical journal · 2008Article
- Partitioning of anesthetics into a lipid bilayer and their interaction with membrane-bound peptide bundles.Biophysical journal · 2006Article
- Coarse grained protein-lipid model with application to lipoprotein particles.The journal of physical chemistry. B · 2006Article
- Molecular dynamics simulations of salicylate effects on the micro- and mesoscopic properties of a dipalmitoylphosphatidylcholine bilayer.Biochemistry · 2005Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 2 countries.
Funding
Abstract
To 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.
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Registered trials
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