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DOI | 10.4067/S0717-97072012000300021 | ||||||
Año | 2012 | ||||||
Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
4,4-Dimethyl-5,8-dihydroanthracene-1,9,10(4H)-trione (Q1) and 9,10-Dihydroxy-4,4-dimethyl-5,8-dihydro-1 (4H)-anthracenone (Q2), two molecules that inhibit cancer cell respiration, were selectively deuterated and dissolved in an anionic discotic nematic lyotropic liquid crystal (dnllc) solution. The solution provides a magnetic field oriented anisotropic medium, where the location, average orientation and dynamics of Q(1) and Q(2) were examined by measuring H-2-NMR quadrupole splittings (Delta v(Q)) and H-2 longitudinal relaxation times (T-1). The NMR data shows that both molecules are strongly attached to the aggregate and, when dissolved, increase the alignment of the interface components with the magnetic field. However they present different average orientations. To assist with the interpretation of the experimental results, 300ns Molecular Dynamics (MD) trajectories of a bilayer model of the aggregate were calculated. The results show that both molecules spontaneously diffuse inside the bilayer, to locate in the limit between the hydrophobic core and the interface. The orientations of both molecules in the aggregate are determined by the formation of H-bonds with water.
Ord. | Autor | Género | Institución - País |
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1 | BAHAMONDE-PADILLA, VICTOR EDUARDO | Hombre |
Universidad de Chile - Chile
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2 | Martinez-Cifuentes, Maximiliano | Hombre |
Universidad de Chile - Chile
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3 | Munoz-Masson, Daniel | Hombre |
Universidad de Chile - Chile
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4 | Ruiz, Alvaro | Hombre |
Universidad de Chile - Chile
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5 | AHUMADA-GUTIERREZ, HERNAN RAUL | - |
Univ Glasgow - Reino Unido
University of Glasgow - Reino Unido |
6 | ARAYA-MATURANA, RAMIRO JUAN | Hombre |
Universidad de Chile - Chile
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7 | Soto-Delgado, Jorge | Hombre |
Universidad Técnica Federico Santa María - Chile
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8 | Weiss-López, Boris | Hombre |
Universidad de Chile - Chile
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Fuente |
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FONDECYT |
CONICYT |
Millennium Nucleus |
Post-Doctoral Fellowship from Millennium Nucleus (CILIS) |
Agradecimiento |
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The authors are pleased to acknowledge financial support from FONDECYT (Grant 1095175). We thank Prof. Dr. J. Ferreira for measuring the anti-cancer activity of Q1. V.E. Bahamonde P. and M. Martinez C. acknowledge CONICYT for Doctoral Fellowships. H. Ahumada acknowledges CONICYT for a Chile Fellowship. J. Soto D. acknowledges a Post-Doctoral Fellowship from Millennium Nucleus (CILIS, ICM-P10-003-F). |