4.5 Article

Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing Bilayers

Journal

JOURNAL OF PHYSICAL CHEMISTRY B
Volume 114, Issue 20, Pages 6855-6865

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jp911605b

Keywords

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Funding

  1. SEID [FIS200603525]
  2. DURSI [2009-SGR1055]
  3. Barcelona Supercomputing Center
  4. Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) [PIP 5756/05]
  5. Universidad de Buenos Aires [UBA-CyT X132/08]
  6. ANPCyT [PME 184/04]
  7. Agencia Espanola de Cooperacion Internacional (AECI) [A/8402/07]

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We present a numerical study of pore formation in lipid bilayers containing cholesterol (Chol) and subjected to a transverse electric field. Molecular dynamics simulations of 1,2-dipalmitoyl-sn-glycero-3-phosphatidyl-choline (DOPC) membranes reveal the formation of a pore when an electric field of 325 mV/nm is applied. The minimum electric field needed for membrane permeabilization strongly increases with the addition of cholesterol above 10 mol %, reaching 750 mV/nm for 40 mol % Chol. Analysis of simulations of DOPC/Chol bilayers,suggests this is caused by a substantial increment of membrane cohesion. Simulations also show that pore formation kinetics is much slower at high Chol contents.

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