| Author | Assis, João V. de | |
| Author | Teixeira, Milena G. | |
| Author | Soares, Cássia G. P. | |
| Author | Lopes, Juliana F. | |
| Author | Carvalho, Guilherme S. L. | |
| Author | Lourenço, Maria C. S. | |
| Author | Almeida, Mauro V. de | |
| Author | Almeida, Wagner B. de | |
| Author | Fernandes, Sergio A. | |
| Access date | 2019-10-17T12:21:28Z | |
| Available date | 2019-10-17T12:21:28Z | |
| Document date | 2012 | |
| Citation | ASSIS, João V. de et al. Experimental and theoretical NMR determination of isoniazid and sodiump-sulfonatocalix[n]arenes inclusion complexes. European Journal of Pharmaceutical Sciences, v. 47, p. 539-548, 2012. | pt_BR |
| ISSN | 0928-0987 | pt_BR |
| URI | https://www.arca.fiocruz.br/handle/icict/36508 | |
| Language | eng | pt_BR |
| Publisher | Elsevier | pt_BR |
| Rights | open access | pt_BR |
| Title | Experimental and theoretical NMR determination of isoniazid and sodium p-sulfonatocalix[n]arenes inclusion complexes | pt_BR |
| Type | Article | pt_BR |
| DOI | 10.1016/j.ejps.2012.07.015 | |
| Abstract | In this work the inclusion complex formation of isoniazid with sodium p-sulfonatocalix[n]arenes is reported aiming to improve the physicochemical and biopharmaceutical properties of isoniazid a first line antibuberculosis drug. The architectures of the complexes were proposed according to NMR data Job plot indicating details on the insertion of the isoniazid in the calix[n]arenes cavities. DFT theoretical NMR calculations were also performed for sodium p-sulfonatocalix[4]arene complex with isoniazid, with various modes of complexation being considered, to provide support for the experimental proposal. A comparison between experimental and theoretical 1H NMR chemical shifts profiles allowed for the inclusion complex characterization confirming the isoniazid inclusion mode which is preferentially through the hydrazide moiety. The remarkable agreement between experimental and theoretical NMR profiles adds support to their use in the structural characterization of inclusion compounds. Antibacterial activity was evaluated and the results indicated the inclusion complexes as a potential strategy for tuberculosis treatment. | pt_BR |
| Affilliation | Universidade Federal de Juiz de Fora. Instituto de Ciências Exatas. Departamento de Química. Núcleo Multifuncional de Pesquisas Químicas. Juiz de Fora, MG, Brasil. | pt_BR |
| Affilliation | Universidade Federal de Viçosa. Departamento de Química. Grupo de Química Supramolecular e Biomimética. Viçosa, MG, Brasil. | pt_BR |
| Affilliation | Universidade Federal de Viçosa. Departamento de Química. Grupo de Química Supramolecular e Biomimética. Viçosa, MG, Brasil. | pt_BR |
| Affilliation | Universidade Federal de Itajubá. Instituto de Ciências Exatas. Departamento de Física e Química. Itajubá, MG, Brasil. | pt_BR |
| Affilliation | Fundação Oswaldo Cruz. Instituto de Pesquisa Clínica Evandro Chagas. Laboratório de Bacteriologia e Bioensaios em Micobactérias. Rio de Janeiro, RJ, Brasil. | pt_BR |
| Affilliation | Fundação Oswaldo Cruz. Instituto de Pesquisa Clínica Evandro Chagas. Laboratório de Bacteriologia e Bioensaios em Micobactérias. Rio de Janeiro, RJ, Brasil. | pt_BR |
| Affilliation | Universidade Federal de Juiz de Fora. Instituto de Ciências Exatas. Departamento de Química. Núcleo Multifuncional de Pesquisas Químicas. Juiz de Fora, MG, Brasil. | pt_BR |
| Affilliation | Universidade Federal de Minas Gerais. Departamento de Química. Laboratório de Computacional e Modelagem Molecular. Belo Horizonte, MG, Brasil. | pt_BR |
| Affilliation | Universidade Federal de Viçosa. Departamento de Química. Grupo de Química Supramolecular e Biomimética. Viçosa, MG, Brasil. | pt_BR |
| Subject | Isoniazid | pt_BR |
| Subject | Calix[n]arenes | pt_BR |
| Subject | NMR | pt_BR |
| Subject | Supramolecular chemistry | pt_BR |
| Subject | In vitroevaluation | pt_BR |
| Subject | Tuberculosis | pt_BR |
| e-ISSN | 1879-0720 | |
| Embargo date | 2020-10-17 | |
