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Abstract:

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-phosphatidylcholine (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. © 2010 American Chemical Society.

Registro:

Documento: Artículo
Título:Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers
Autor:Fernández, M.L.; Marshall, G.; Sagués, F.; Reigada, R.
Filiación:Laboratorio de Sistemas Complejos, Departamento de Computación, Universidad de Buenos Aires, 1428 Buenos Aires, Argentina
Departament de Química Física, Universitat de Barcelona, c/Martí i Franqués 1, Pta 4, 08028 Barcelona, Spain
Palabras clave:Cholesterol; Electric fields; Molecular dynamics; Pore size; Bi-layer; Electroporation; Membrane permeabilization; Molecular dynamics simulations; Numerical studies; Phosphatidylcholine; Pore formation; Transverse electric field; Lipid bilayers
Año:2010
Volumen:114
Número:20
Página de inicio:6855
Página de fin:6865
DOI: http://dx.doi.org/10.1021/jp911605b
Título revista:Journal of Physical Chemistry B
Título revista abreviado:J Phys Chem B
ISSN:15206106
CODEN:JPCBF
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15206106_v114_n20_p6855_Fernandez

Referencias:

  • Houslay, M.D., Stanley, K.K., (1982) Dynamics of Biological Membranes, , Wiley: New York
  • Sackmann, E., Lipowsky, R., Sackmann, E., (1995) Structure and Dynamics of Membranes, pp. 1-64. , Biological membranes architecture and function. Eds.; Elsevier: Amsterdam
  • Tieleman, D.P., Marrink, S.J., (2006) J. Am. Chem. Soc., 128, pp. 12462-12467
  • Humphrey, W., Dalke, A., Schulten, K., (1996) J. Mol. Graph., 14, pp. 33-38
  • Tsong, T.Y., (1991) Biophys. J., 60, pp. 297-306
  • Neumann, E., Kakorin, S., Toensing, K., (1999) Bioelectrochem. Bioenerg., 48, pp. 3-16
  • Mir, L., Bureau, M.F., Gehl, J., Rangara, R., Rouy, D., Caillaud, J.-M., Delaere, P., Scherman, D., (1999) Proc. Natl. Acad. Sci. U.S.A., 96, pp. 4262-4267
  • Prausnitz, M.R., Bose, V.G., Langer, R., Weaver, J.C., (1993) Proc. Natl. Acad. Sci. U.S.A., 90, pp. 10504-10508
  • Tsong, T.Y., (1987) Methods Enzymol., 149, pp. 248-259
  • Mir, L.M., Orlowski, S., Jaroszeski, M.J., Heller, R., Gilbert, R., (2000) The Basis of Electrochemotherapy in Electrochemotherapy, Electrogenetherapy and Transdermal Drug Delivery: Electrically Mediated Delivery of Molecules to Cells, pp. 99-117. , Eds.; Springer: Berlin
  • Belehradek, M., Domenge, C., Luboinski, B., Orlowski, S., Belehradek, J., Mir, L.M., (1993) Cancer, 72, pp. 3694-3700
  • Sersa, G., Miklavcic, D., Cemazar, M., Rudolf, Z., Pucihar, G., Snoj, M., (2008) Eur. J. Surg. Oncol., 34, pp. 232-240
  • Tieleman, D.P., (2004) BMC Biochem., 5, p. 10
  • Ziegler, M.J., Vernier, P.T., (2008) J. Phys. Chem., 112, pp. 13588-13596
  • Leontiadou, H., Mark, A.E., Marrink, S.J., (2004) Biophys. J., 86, pp. 2156-2164
  • Tarek, M., (2005) Biophys. J., 88, pp. 4045-4053
  • Böckmann, R.A., De Groot, B.L., Kakorin, S., Neumann, E., Grubmüller, H., (2008) Biophys. J., 95, pp. 1837-1850
  • Vernier, P.T., Ziegler, M.J., Sun, Y., Chang, W.V., Gundersen, M.A., Tieleman, D.P., (2006) J. Am. Chem. Soc., 128, pp. 6288-6289
  • Ohvo-Rekilä, H., Ramstedt, B., Leppimäki, P., Slotte, J.P., (2002) Prog. Lipid Res., 41, pp. 66-97
  • Bloom, M., Evans, E., Mouritsen, O.G., (1991) Q. Rev. Biophys., 24, pp. 293-397
  • Martinez-Seara, H., Róg, T., Karttunen, M., Reigada, R., Vattulainen, I., (2008) J. Chem. Phys., 129, p. 105103
  • Tieleman, D.P., Bentz, J., (2002) Biophys. J., 83, pp. 1501-1510
  • Bachar, M., Brunelle, P., Tieleman, D.P., Rauk, A., (2004) J. Phys. Chem. B, 108, pp. 7170-7179
  • Martinez-Seara, H., Róg, T., Pasenkiewicz-Gierula, M., Vattulainen, I., Karttunen, M., Reigada, R., (2008) Biophys. J., 95, pp. 3295-3305
  • Lindahl, E., Hess, B., Van Der Spoel, D., (2001) J. Mol. Model., 7, pp. 306-317
  • Van Der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A.E., Berendsen, H.J.C., (2005) J. Comput. Chem., 26, pp. 1701-1718
  • Berger, O., Edholm, O., Jahnig, F., (1997) Biophys. J., 72, pp. 2002-2013
  • Tieleman, D.P., Berendsen, H.J.C., (1996) J. Chem. Phys., 105, pp. 4871-4880
  • Holtje, M., Forster, T., Brandt, B., Engels, T., Von Rybinski, W., Holtje, H.-D., (2001) Biochim. Biophys. Acta, 1511, pp. 156-167
  • Berendsen, H.J.C., Postma, J.P.M., Van Gunsteren, W.F., Hermans, J., (1981) Intermolecular Forces, , Interaction models for water in relation to protein hydration. Pullman, B., Ed.; Reidel: Dordrecht, The Netherlands
  • Berendsen, H.J.C., Postma, J.P.M., Van Gunsteren, W.F., Dinola, A., Haak, J.R., (1984) J. Chem. Phys., 81, pp. 3684-3690
  • Miyamoto, S., Kollman, P.A., (1992) J. Comput. Chem., 13, pp. 952-962
  • Hess, B., Bekker, H., Berendsen, H.J.C., Fraaije, J.G.E.M., (1997) J. Comput. Chem., 18, pp. 1463-1472
  • Essman, U., Perera, L., Berkowitz, M.L., Darden, H.L.T., Pedersen, L.G., (1995) J. Chem. Phys., 103, pp. 8577-8592
  • Martinez-Seara, H., Róg, T., Pasenkiewicz-Gierula, M., Vattulainen, I., Karttunen, M., Reigada, R., (2007) J. Phys. Chem. B., 111, pp. 11162-11168
  • Martinez-Seara, H., Róg, T., Karttunen, M., Vattulainen, I., Reigada, R., (2009) J. Phys. Chem. B, 113, pp. 8347-8356
  • Humphrey, W., Dalke, A., Schulten, K., (1996) J. Mol. Graph., 14, pp. 33-38. , http://www.ks.uiuc.edu/Research/vmd/
  • Hofsä, C., Lindahl, E., Edholm, O., (2003) Biophys. J., 84, pp. 2192-2206
  • Edholm, O., Nagle, J.F., (2005) Biophys. J., 89, pp. 1827-1832
  • Davis, J.H., (1983) Biochim. Biophys. Acta, 737, pp. 117-171
  • Nagle, J.F., Tristram-Nagle, S., (2000) Biochim. Biophys. Acta, 1469, pp. 159-195
  • Kucerka, N., Tristram-Nagle, S., Nagle, J.F., (2005) J. Membr. Biol., 208, pp. 193-202
  • Needham, D., Hochmuth, R.M., (1989) Biophys. J., 55, pp. 1001-1009
  • Koronkiewicz, S., Kalinowski, S., (2004) Biochim. Biophys. Acta, 1661, pp. 196-203
  • Bennet, W.F.D., MacCallum, J.L., Tieleman, D.P., (2009) J. Am. Chem. Soc., 131, pp. 1972-1978
  • Hung, W.-C., Lee, M.-T., Chen, F.-Y., Huang, H.W., (2007) Biophys. J., 92, pp. 3960-3967
  • Graziani, Y., Livne, A., (1972) J. Membr. Biol., 7, pp. 275-284
  • Finkelstein, A., Cass, A., (1967) Nature, 216, pp. 717-718
  • Crowley, J.M., (1973) Biophys. J., 13, pp. 711-724
  • Evans, E., Needham, D., (1987) J. Phys. Chem., 91, pp. 4219-4228
  • Bloch, K., (1991) Cholesterol: Evolution of Structure and Function in Biochemistry of Lipids, Lipoproteins and Membranes, pp. 363-381. , Vance D.E. Vance J.E. Eds.; Elsevier: Amsterdam
  • Czub, J., Baginski, M., (2006) Biophys. J., 90, pp. 2368-2382
  • Pandit, S.A., Bostick, D., Berkowitz, M.L., (2004) Biophys. J., 86, pp. 1345-1356
  • Vernier, P.T., Ziegler, M.J., (2007) J. Phys. Chem. B, 111, pp. 12993-12996

Citas:

---------- APA ----------
Fernández, M.L., Marshall, G., Sagués, F. & Reigada, R. (2010) . Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers. Journal of Physical Chemistry B, 114(20), 6855-6865.
http://dx.doi.org/10.1021/jp911605b
---------- CHICAGO ----------
Fernández, M.L., Marshall, G., Sagués, F., Reigada, R. "Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers" . Journal of Physical Chemistry B 114, no. 20 (2010) : 6855-6865.
http://dx.doi.org/10.1021/jp911605b
---------- MLA ----------
Fernández, M.L., Marshall, G., Sagués, F., Reigada, R. "Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers" . Journal of Physical Chemistry B, vol. 114, no. 20, 2010, pp. 6855-6865.
http://dx.doi.org/10.1021/jp911605b
---------- VANCOUVER ----------
Fernández, M.L., Marshall, G., Sagués, F., Reigada, R. Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers. J Phys Chem B. 2010;114(20):6855-6865.
http://dx.doi.org/10.1021/jp911605b