Artículo
Sertraline and its iodine product: Experimental and theoretical vibrational studies: Potential in vitro anti-thyroid activity of sertraline and iodine product toxicity with respect to male Wistar rats
Escudero, Graciela; Ferraresi Curotto, Verónica
; Laino, Carlos Horacio; Pis Diez, Reinaldo
; Williams, Patricia Ana María; Ferrer, Evelina Gloria
Fecha de publicación:
03/2013
Editorial:
Pergamon-Elsevier Science Ltd
Revista:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
ISSN:
0584-8539
e-ISSN:
1386-1425
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Mayor depression, obsessive-compulsive panic, social anxiety disorders are common diseases that are usually treated with sertraline hydrochloride which is the active ingredient of the well known drugs as Zoloft and Lustral. In this work, we presented a more complete vibrational characterization of the solid phase FT-IR spectra of Sertraline hydrochloride and its sertraline-iodine product in which the conformational space of the molecules was investigated performing molecular dynamic simulations within an NVT ensemble. Geometrical, electronic and vibrational properties were calculated with the density functional theory. Comparison of the simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes of both molecules. In addition, for the first time we present the evaluation of anti-thyroid activity of sertraline hydrochloride by using the Lang's method. Also, with the aim to evaluate the antidepressant effect of its iodine product we demonstrated for this compound the toxic effect towards the male Wistar rats. © 2012 Elsevier B.V. All rights reserved.
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Articulos(SEDE CENTRAL)
Articulos de SEDE CENTRAL
Articulos de SEDE CENTRAL
Citación
Escudero, Graciela; Ferraresi Curotto, Verónica; Laino, Carlos Horacio; Pis Diez, Reinaldo; Williams, Patricia Ana María; et al.; Sertraline and its iodine product: Experimental and theoretical vibrational studies: Potential in vitro anti-thyroid activity of sertraline and iodine product toxicity with respect to male Wistar rats; Pergamon-Elsevier Science Ltd; Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy; 104; 3-2013; 271-279
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