Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: A comparative study of experiments in silico and with cells

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Dimethyl sulfoxide (DMSO) has been known to enhance cell membrane permeability of drugs or DNA. Molecular dynamics (MD) simulations with single-component lipid bilayers predicted the existence of three regimes of action of DMSO: membrane loosening, pore formation and bilayer collapse. We show here t...

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Autores principales:	de Ménorval, M.-A., Mir, L.M., Fernández, M.L., Reigada, R.
Formato:	Artículo publishedVersion
Publicado:	2012
Materias:	calcium ion dimethyl sulfoxide iodide water animal cell article calcium cell level cell assay cell membrane permeability comparative study computer model concentration (parameters) controlled study fibroblast lipid bilayer lipid membrane molecular dynamics molecular interaction nonhuman prediction structure analysis Animals Cell Line Cell Membrane Cell Membrane Permeability Cholesterol Computational Biology Cricetinae Dimethyl Sulfoxide Dose-Response Relationship, Drug Lipid Bilayers Molecular Conformation Molecular Dynamics Simulation Porosity
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_19326203_v7_n7_p_deMenorval https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_19326203_v7_n7_p_deMenorval_oai
Aporte de:	Repositorio Digital de la Universidad de Buenos Aires (UBA) de Universidad de Buenos Aires

id	I28-R145-paper_19326203_v7_n7_p_deMenorval_oai
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spelling	I28-R145-paper_19326203_v7_n7_p_deMenorval_oai2024-08-16 de Ménorval, M.-A. Mir, L.M. Fernández, M.L. Reigada, R. 2012 Dimethyl sulfoxide (DMSO) has been known to enhance cell membrane permeability of drugs or DNA. Molecular dynamics (MD) simulations with single-component lipid bilayers predicted the existence of three regimes of action of DMSO: membrane loosening, pore formation and bilayer collapse. We show here that these modes of action are also reproduced in the presence of cholesterol in the bilayer, and we provide a description at the atomic detail of the DMSO-mediated process of pore formation in cholesterol-containing lipid membranes. We also successfully explore the applicability of DMSO to promote plasma membrane permeability to water, calcium ions (Ca2+) and Yo-Pro-1 iodide (Yo-Pro-1) in living cell membranes. The experimental results on cells in culture can be easily explained according to the three expected regimes: in the presence of low doses of DMSO, the membrane of the cells exhibits undulations but no permeability increase can be detected, while at intermediate DMSO concentrations cells are permeabilized to water and calcium but not to larger molecules as Yo-Pro-1. These two behaviors can be associated to the MD-predicted consequences of the effects of the DMSO at low and intermediate DMSO concentrations. At larger DMSO concentrations, permeabilization is larger, as even Yo-Pro-1 can enter the cells as predicted by the DMSO-induced membrane-destructuring effects described in the MD simulations. © 2012 de Ménorval et al. Fil:Fernández, M.L. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. application/pdf http://hdl.handle.net/20.500.12110/paper_19326203_v7_n7_p_deMenorval info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar PLoS ONE 2012;7(7) calcium ion dimethyl sulfoxide iodide water animal cell article calcium cell level cell assay cell membrane permeability comparative study computer model concentration (parameters) controlled study fibroblast lipid bilayer lipid membrane molecular dynamics molecular interaction nonhuman prediction structure analysis Animals Cell Line Cell Membrane Cell Membrane Permeability Cholesterol Computational Biology Cricetinae Dimethyl Sulfoxide Dose-Response Relationship, Drug Lipid Bilayers Molecular Conformation Molecular Dynamics Simulation Porosity Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: A comparative study of experiments in silico and with cells info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_19326203_v7_n7_p_deMenorval_oai
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-145
collection	Repositorio Digital de la Universidad de Buenos Aires (UBA)
topic	calcium ion dimethyl sulfoxide iodide water animal cell article calcium cell level cell assay cell membrane permeability comparative study computer model concentration (parameters) controlled study fibroblast lipid bilayer lipid membrane molecular dynamics molecular interaction nonhuman prediction structure analysis Animals Cell Line Cell Membrane Cell Membrane Permeability Cholesterol Computational Biology Cricetinae Dimethyl Sulfoxide Dose-Response Relationship, Drug Lipid Bilayers Molecular Conformation Molecular Dynamics Simulation Porosity
spellingShingle	calcium ion dimethyl sulfoxide iodide water animal cell article calcium cell level cell assay cell membrane permeability comparative study computer model concentration (parameters) controlled study fibroblast lipid bilayer lipid membrane molecular dynamics molecular interaction nonhuman prediction structure analysis Animals Cell Line Cell Membrane Cell Membrane Permeability Cholesterol Computational Biology Cricetinae Dimethyl Sulfoxide Dose-Response Relationship, Drug Lipid Bilayers Molecular Conformation Molecular Dynamics Simulation Porosity de Ménorval, M.-A. Mir, L.M. Fernández, M.L. Reigada, R. Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: A comparative study of experiments in silico and with cells
topic_facet	calcium ion dimethyl sulfoxide iodide water animal cell article calcium cell level cell assay cell membrane permeability comparative study computer model concentration (parameters) controlled study fibroblast lipid bilayer lipid membrane molecular dynamics molecular interaction nonhuman prediction structure analysis Animals Cell Line Cell Membrane Cell Membrane Permeability Cholesterol Computational Biology Cricetinae Dimethyl Sulfoxide Dose-Response Relationship, Drug Lipid Bilayers Molecular Conformation Molecular Dynamics Simulation Porosity
description	Dimethyl sulfoxide (DMSO) has been known to enhance cell membrane permeability of drugs or DNA. Molecular dynamics (MD) simulations with single-component lipid bilayers predicted the existence of three regimes of action of DMSO: membrane loosening, pore formation and bilayer collapse. We show here that these modes of action are also reproduced in the presence of cholesterol in the bilayer, and we provide a description at the atomic detail of the DMSO-mediated process of pore formation in cholesterol-containing lipid membranes. We also successfully explore the applicability of DMSO to promote plasma membrane permeability to water, calcium ions (Ca2+) and Yo-Pro-1 iodide (Yo-Pro-1) in living cell membranes. The experimental results on cells in culture can be easily explained according to the three expected regimes: in the presence of low doses of DMSO, the membrane of the cells exhibits undulations but no permeability increase can be detected, while at intermediate DMSO concentrations cells are permeabilized to water and calcium but not to larger molecules as Yo-Pro-1. These two behaviors can be associated to the MD-predicted consequences of the effects of the DMSO at low and intermediate DMSO concentrations. At larger DMSO concentrations, permeabilization is larger, as even Yo-Pro-1 can enter the cells as predicted by the DMSO-induced membrane-destructuring effects described in the MD simulations. © 2012 de Ménorval et al.
format	Artículo Artículo publishedVersion
author	de Ménorval, M.-A. Mir, L.M. Fernández, M.L. Reigada, R.
author_facet	de Ménorval, M.-A. Mir, L.M. Fernández, M.L. Reigada, R.
author_sort	de Ménorval, M.-A.
title	Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: A comparative study of experiments in silico and with cells
title_short	Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: A comparative study of experiments in silico and with cells
title_full	Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: A comparative study of experiments in silico and with cells
title_fullStr	Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: A comparative study of experiments in silico and with cells
title_full_unstemmed	Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: A comparative study of experiments in silico and with cells
title_sort	effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: a comparative study of experiments in silico and with cells
publishDate	2012
url	http://hdl.handle.net/20.500.12110/paper_19326203_v7_n7_p_deMenorval https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_19326203_v7_n7_p_deMenorval_oai
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Effects of dimethyl sulfoxide in cholesterol-containing lipid membranes: A comparative study of experiments in silico and with cells

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