Sertraline and its iodine product: Experimental and theoretical vibrational studies: Potential in vitro anti-thyroid activity of sertraline and iodine product toxicity with respect...

Autores: Escudero, Graciela; Ferraresi Curotto, Verónica; Laino, Carlos Horacio; Pis Diez, Reinaldo; Williams, Patricia Ana María; Ferrer, Evelina Gloria
Año de publicación: 2013
Idioma: inglés
Tipo de recurso: artículo
Estado: versión publicada
Descripción: 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.
Fil: Escudero, Graciela. Universidad Nacional de La Rioja. Departamento de Ciencias de la Salud y Educación. Instituto de Investigaciones en Ciencias de la Salud Humana; Argentina
Fil: Ferraresi Curotto, Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Laino, Carlos Horacio. Universidad Nacional de La Rioja. Departamento de Ciencias de la Salud y Educación. Instituto de Investigaciones en Ciencias de la Salud Humana; Argentina
Fil: Pis Diez, Reinaldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Williams, Patricia Ana María. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Fil: Ferrer, Evelina Gloria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
Materia: Anti-Thyroid Activity
Antidepressant Effect
In Vitro Models
Infrared Spectroscopy
Sertraline
Uv/Vis Spectroscopy
Nivel de accesibilidad: acceso abierto
Condiciones de uso: https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
Institución: Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador: oai:ri.conicet.gov.ar:11336/77865

Acceder

id	CONICETDig_26a49785f2f1714a240d9daaf099edad
oai_identifier_str	oai:ri.conicet.gov.ar:11336/77865
network_acronym_str	CONICETDig
repository_id_str	3498
network_name_str	CONICET Digital (CONICET)
spelling	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 ratsEscudero, GracielaFerraresi Curotto, VerónicaLaino, Carlos HoracioPis Diez, ReinaldoWilliams, Patricia Ana MaríaFerrer, Evelina GloriaAnti-Thyroid ActivityAntidepressant EffectIn Vitro ModelsInfrared SpectroscopySertralineUv/Vis Spectroscopyhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1Mayor 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.Fil: Escudero, Graciela. Universidad Nacional de La Rioja. Departamento de Ciencias de la Salud y Educación. Instituto de Investigaciones en Ciencias de la Salud Humana; ArgentinaFil: Ferraresi Curotto, Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Laino, Carlos Horacio. Universidad Nacional de La Rioja. Departamento de Ciencias de la Salud y Educación. Instituto de Investigaciones en Ciencias de la Salud Humana; ArgentinaFil: Pis Diez, Reinaldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Williams, Patricia Ana María. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaFil: Ferrer, Evelina Gloria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; ArgentinaPergamon-Elsevier Science Ltd2013-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/77865Escudero, 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; 271-2790584-85391386-1425CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1386142512011870info:eu-repo/semantics/altIdentifier/doi/10.1016/j.saa.2012.11.076info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:03:47Zoai:ri.conicet.gov.ar:11336/77865instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-10 13:03:47.327CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv	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
title	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
spellingShingle	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 Anti-Thyroid Activity Antidepressant Effect In Vitro Models Infrared Spectroscopy Sertraline Uv/Vis Spectroscopy
title_short	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
title_full	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
title_fullStr	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
title_full_unstemmed	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
title_sort	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
dc.creator.none.fl_str_mv	Escudero, Graciela Ferraresi Curotto, Verónica Laino, Carlos Horacio Pis Diez, Reinaldo Williams, Patricia Ana María Ferrer, Evelina Gloria
author	Escudero, Graciela
author_facet	Escudero, Graciela Ferraresi Curotto, Verónica Laino, Carlos Horacio Pis Diez, Reinaldo Williams, Patricia Ana María Ferrer, Evelina Gloria
author_role	author
author2	Ferraresi Curotto, Verónica Laino, Carlos Horacio Pis Diez, Reinaldo Williams, Patricia Ana María Ferrer, Evelina Gloria
author2_role	author author author author author
dc.subject.none.fl_str_mv	Anti-Thyroid Activity Antidepressant Effect In Vitro Models Infrared Spectroscopy Sertraline Uv/Vis Spectroscopy
topic	Anti-Thyroid Activity Antidepressant Effect In Vitro Models Infrared Spectroscopy Sertraline Uv/Vis Spectroscopy
purl_subject.fl_str_mv	https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 https://purl.org/becyt/ford/1.6 https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv	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. Fil: Escudero, Graciela. Universidad Nacional de La Rioja. Departamento de Ciencias de la Salud y Educación. Instituto de Investigaciones en Ciencias de la Salud Humana; Argentina Fil: Ferraresi Curotto, Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina Fil: Laino, Carlos Horacio. Universidad Nacional de La Rioja. Departamento de Ciencias de la Salud y Educación. Instituto de Investigaciones en Ciencias de la Salud Humana; Argentina Fil: Pis Diez, Reinaldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina Fil: Williams, Patricia Ana María. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina Fil: Ferrer, Evelina Gloria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
description	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.
publishDate	2013
dc.date.none.fl_str_mv	2013-03
dc.type.none.fl_str_mv	info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo
format	article
status_str	publishedVersion
dc.identifier.none.fl_str_mv	http://hdl.handle.net/11336/77865 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 0584-8539 1386-1425 CONICET Digital CONICET
url	http://hdl.handle.net/11336/77865
identifier_str_mv	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 0584-8539 1386-1425 CONICET Digital CONICET
dc.language.none.fl_str_mv	eng
language	eng
dc.relation.none.fl_str_mv	info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1386142512011870 info:eu-repo/semantics/altIdentifier/doi/10.1016/j.saa.2012.11.076
dc.rights.none.fl_str_mv	info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv	openAccess
rights_invalid_str_mv	https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv	application/pdf application/pdf application/pdf application/pdf application/pdf application/pdf application/pdf
dc.publisher.none.fl_str_mv	Pergamon-Elsevier Science Ltd
publisher.none.fl_str_mv	Pergamon-Elsevier Science Ltd
dc.source.none.fl_str_mv	reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str	CONICET Digital (CONICET)
collection	CONICET Digital (CONICET)
instname_str	Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv	CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv	dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_	1842980107061297152
score	13.004268

Sertraline and its iodine product: Experimental and theoretical vibrational studies: Potential in vitro anti-thyroid activity of sertraline and iodine product toxicity with respect...

Publicaciones similares