Synthesis, characterization, DFT calculations and anticancer activity of an new Oxidovanadium(IV) complex with a ligand derived from o-vanillin and thiophene

From the interaction of the vanadyl ion with a ligand (HL), obtained by the condensation reaction of o-vanillin and 2-thiophenemethylamine, a oxodovanadium(IV) complex (VOL2) is obtained. It is characterized by spectroscopic techniques, including solid state FTIR, Raman, EPR and diffuse reflectance...

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Autores principales: Rodríguez, María Rosa, Balsa, Lucía Mariana, Plá, Julián del, García Tojal, Javier, Pis Diez, Reinaldo, Parajón Costa, Beatriz Susana, León, Ignacio Esteban, González Baró, Ana Cecilia
Formato: Articulo Preprint
Lenguaje:Inglés
Publicado: 2019
Materias:
Química
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/152753
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-152753
record_format dspace
spelling I19-R120-10915-1527532023-05-11T04:06:32Z http://sedici.unlp.edu.ar/handle/10915/152753 issn:1369-9261 Synthesis, characterization, DFT calculations and anticancer activity of an new Oxidovanadium(IV) complex with a ligand derived from o-vanillin and thiophene Rodríguez, María Rosa Balsa, Lucía Mariana Plá, Julián del García Tojal, Javier Pis Diez, Reinaldo Parajón Costa, Beatriz Susana León, Ignacio Esteban González Baró, Ana Cecilia 2019 2023-05-10T18:43:00Z en Química From the interaction of the vanadyl ion with a ligand (HL), obtained by the condensation reaction of o-vanillin and 2-thiophenemethylamine, a oxodovanadium(IV) complex (VOL2) is obtained. It is characterized by spectroscopic techniques, including solid state FTIR, Raman, EPR and diffuse reflectance and UV-vis and EPR in solutions. Its thermal behavior is analyzed by means of TGA and DTA. Theoretical studies based on DFT computational methods are of help in the interpretation and assignment of spectroscopic data. Cytotoxicity assays (48 h) against bone cancer cells (MG-63, IC50 = 50.4 ± 8.7), breast cancer cells (MCF-7, IC50 = 42.3 ± 4.7) and MDAMB- 231, IC50 = 29.0 ± 1.7) and a normal fibroblast (L929, IC50 = 71.0 ± 3.5), demonstrate the enhancement of effectiveness and selectivity of the complex compared with both the ligand and the free metal ion. Besides, the compound inhibits the cell migration, increases ROS level and conveys the cells to apoptosis. As a whole, these results show the main mechanisms of the deleterious effects of [VOL2] in a triple negative breast cancer cell line (MDA-MB-231), demonstrating that this complex is a promising therapeutic agent for this kind of breast cancer. Centro de Química Inorgánica Articulo Preprint http://creativecommons.org/licenses/by-nc-sa/4.0/ Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) application/pdf
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
spellingShingle Química
Rodríguez, María Rosa
Balsa, Lucía Mariana
Plá, Julián del
García Tojal, Javier
Pis Diez, Reinaldo
Parajón Costa, Beatriz Susana
León, Ignacio Esteban
González Baró, Ana Cecilia
Synthesis, characterization, DFT calculations and anticancer activity of an new Oxidovanadium(IV) complex with a ligand derived from o-vanillin and thiophene
topic_facet Química
description From the interaction of the vanadyl ion with a ligand (HL), obtained by the condensation reaction of o-vanillin and 2-thiophenemethylamine, a oxodovanadium(IV) complex (VOL2) is obtained. It is characterized by spectroscopic techniques, including solid state FTIR, Raman, EPR and diffuse reflectance and UV-vis and EPR in solutions. Its thermal behavior is analyzed by means of TGA and DTA. Theoretical studies based on DFT computational methods are of help in the interpretation and assignment of spectroscopic data. Cytotoxicity assays (48 h) against bone cancer cells (MG-63, IC50 = 50.4 ± 8.7), breast cancer cells (MCF-7, IC50 = 42.3 ± 4.7) and MDAMB- 231, IC50 = 29.0 ± 1.7) and a normal fibroblast (L929, IC50 = 71.0 ± 3.5), demonstrate the enhancement of effectiveness and selectivity of the complex compared with both the ligand and the free metal ion. Besides, the compound inhibits the cell migration, increases ROS level and conveys the cells to apoptosis. As a whole, these results show the main mechanisms of the deleterious effects of [VOL2] in a triple negative breast cancer cell line (MDA-MB-231), demonstrating that this complex is a promising therapeutic agent for this kind of breast cancer.
format Articulo
Preprint
author Rodríguez, María Rosa
Balsa, Lucía Mariana
Plá, Julián del
García Tojal, Javier
Pis Diez, Reinaldo
Parajón Costa, Beatriz Susana
León, Ignacio Esteban
González Baró, Ana Cecilia
author_facet Rodríguez, María Rosa
Balsa, Lucía Mariana
Plá, Julián del
García Tojal, Javier
Pis Diez, Reinaldo
Parajón Costa, Beatriz Susana
León, Ignacio Esteban
González Baró, Ana Cecilia
author_sort Rodríguez, María Rosa
title Synthesis, characterization, DFT calculations and anticancer activity of an new Oxidovanadium(IV) complex with a ligand derived from o-vanillin and thiophene
title_short Synthesis, characterization, DFT calculations and anticancer activity of an new Oxidovanadium(IV) complex with a ligand derived from o-vanillin and thiophene
title_full Synthesis, characterization, DFT calculations and anticancer activity of an new Oxidovanadium(IV) complex with a ligand derived from o-vanillin and thiophene
title_fullStr Synthesis, characterization, DFT calculations and anticancer activity of an new Oxidovanadium(IV) complex with a ligand derived from o-vanillin and thiophene
title_full_unstemmed Synthesis, characterization, DFT calculations and anticancer activity of an new Oxidovanadium(IV) complex with a ligand derived from o-vanillin and thiophene
title_sort synthesis, characterization, dft calculations and anticancer activity of an new oxidovanadium(iv) complex with a ligand derived from o-vanillin and thiophene
publishDate 2019
url http://sedici.unlp.edu.ar/handle/10915/152753
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