Simulation Study of Behavior of -Amyloid Peptide ( AP) on Lipid Membrane using Cellular Automate (CAs)

Young Wook Song; Mi Ja Shim; Sang Wook Kim

Journal of Industrial and Engineering Chemistry, Vol.5, No.4, 302-305, December, 1999

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Simulation Study of Behavior of -Amyloid Peptide ( AP) on Lipid Membrane using Cellular Automate (CAs)

Young Wook Song, Mi Ja Shim¹, and Sang Wook Kim^†

Department of Chemical Science Engineering, The University of Seoul, Seoul 130-743, Korea
¹Department of Life Science, The University of Seoul, Seoul 130-743, Korea

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To study the various behaviors of β-amyloid peptide (βAP) on the surface of the lipid membrane, the penetration and aggregation of AP were simulated by cellular automata (CAs). A cellular automata simulation is a discrete computing mechanism, which expands a local area result to a complex system. When βAP approached the lipid membrane, the following simulation results were displayed. As the hydrophobic C-terminal domain approached the lipid membrane, the peptide penetrated into the membrane, while N-terminal of the peptide aggregated. For the purpose of penetration and aggregation modelling, the simulations of the C-terminal domain entering into the lipid membrane and the N-terminal domain on the surface of the lipid membrane were presented by cellular automata. These results have some similarity with the behavior of βAP in the human brain which confirms that the behavior of βAP can be simulated by cellular automata.

Keywords:Alzheimer's disease;β-amyloid poptide;penetration;aggregation;lipid membrane;and cellular automata

[References]

Burks C, Farmer D, Physica, 10D, 157 (1984)
Oono Y, Kohmoto M, Phys. Rev. Lett., 55, 2927 (1985)
Dubois DM, Biosys., 43, 97 (1997)
Lahoz-Beltra R, Biosys., 44, 209 (1997)
Killingback T, Doebeli M, J. Theor. Biol., 191, 335 (1998)
Keymer JE, Marquet PA, Johnson AR, J. Theor. Biol., 194, 79 (1998)
Kier LB, Cheng CK, J. Chem. Inf. Comput. Sci., 34, 647 (1994)
Kier LB, Cheng CK, J. Chem. Inf. Comput. Sci., 34, 1334 (1994)
Kier LB, Cheng CK, Testa B, Carrupt PA, Pharm. Res., 12, 615 (1995)
Kier LB, Cheng CK, Pharm. Res., 12, 1521 (1995)
Kier LB, Cheng CK, J. Theor. Biol., 186, 75 (1997)
von Neumann J, The Theory of Self-Reproducing Automata, A. Burks (ed.), Univ. of Illinois, Urbana, IL (1966)
Selkoe DJ, Science, 275(5300), 630 (1997)
Pillot T, Goethals M, Vanloo B, Talussot C, Brasseur R, Vandekerckhove J, Rosseneu M, Lins L, J. Biol. Chem., 271, 28757 (1996)
El-Agnaf OMA, Bodles AM, Guthrie DJS, Harriott P, Irvine GB, Eur. J. Biochem., 258, 157 (1998)
Terzi E, Holzemann G, Seelig J, J. Mol. Biol., 252, 633 (1995)

[Referenced By]

[1] Burks C, Farmer D, Physica, 10D, 157 (1984)

[2] Oono Y, Kohmoto M, Phys. Rev. Lett., 55, 2927 (1985)

[3] Dubois DM, Biosys., 43, 97 (1997)

[4] Lahoz-Beltra R, Biosys., 44, 209 (1997)

[5] Killingback T, Doebeli M, J. Theor. Biol., 191, 335 (1998)

[6] Keymer JE, Marquet PA, Johnson AR, J. Theor. Biol., 194, 79 (1998)

[7] Kier LB, Cheng CK, J. Chem. Inf. Comput. Sci., 34, 647 (1994)

[8] Kier LB, Cheng CK, J. Chem. Inf. Comput. Sci., 34, 1334 (1994)

[9] Kier LB, Cheng CK, Testa B, Carrupt PA, Pharm. Res., 12, 615 (1995)

[10] Kier LB, Cheng CK, Pharm. Res., 12, 1521 (1995)

[11] Kier LB, Cheng CK, J. Theor. Biol., 186, 75 (1997)

[12] von Neumann J, The Theory of Self-Reproducing Automata, A. Burks (ed.), Univ. of Illinois, Urbana, IL (1966)

[13] Selkoe DJ, Science, 275(5300), 630 (1997)

[14] Pillot T, Goethals M, Vanloo B, Talussot C, Brasseur R, Vandekerckhove J, Rosseneu M, Lins L, J. Biol. Chem., 271, 28757 (1996)

[15] El-Agnaf OMA, Bodles AM, Guthrie DJS, Harriott P, Irvine GB, Eur. J. Biochem., 258, 157 (1998)

[16] Terzi E, Holzemann G, Seelig J, J. Mol. Biol., 252, 633 (1995)