Resumen

GALANO JIMENEZ, Annia et al. Un modelo computacional de reacciones relacionadas con el mal de Alzheimer en el nivel molecular. Rev Cubana Invest Bioméd [online]. 2002, vol.21, n.1, pp. 54-59. ISSN 1561-3011.

The technological development of the computation means has made possible the study of increasingly large systems and with a higher degree of accuracy. The method used is the so-called semiempiric with the PM3 parametrization implemented in the MOPAC program. The rupture of the different bonds of carbon a, as well as that of the peptide bond were designed in this paper. The calculations were made in Pentium Pro (200 MHz, 64 bytes Ram), Dual Pentium II (233 MHz, 128 bytes RAM) and Dual Pentium Pro (200 MHz, 128 bytes RAM) processors. The design of the radical reactions of the aminoacids constituting the active fragment of the b-amyloid peptide showed that the reaction of formation of free radicals and the further reactivitiy of them that may lead to the oxidative degradation of the sorrounding molecules was possible. This generation of free radicals is significant in the positions Ca and asparagine appears as the most active rest.

Palabras clave : COMPUTER SIMULATION; CELL DEATH; FREE RADICALS; BRAIN CHEMISTRY; AMYLOID BETA-PROTEIN; ALZHEIMER DISEASE; CHEMICAL OXIDATION; ALZHEIMER DISEASE.

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