Synthesis, characterization, DFT modeling and in vitro antimycobacterial activity assays of a silver(I)-isoniazid complex

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dc.creatorParis Junior, José Alberto
dc.creatorCavicchioli, Mauricio
dc.creatorMachado, Rachel Temperani Amaral
dc.creatorPavan, Fernando Rogério
dc.creatorNakahata, Douglas Hideki
dc.creatorCorbi, Pedro Paulo
dc.creatorCosta, Adão Marcos Ferreira
dc.creatorPereira, Douglas Henrique
dc.creatorMassabni, Antonio Carlos
dc.date.accessioned2023-10-17T14:45:54Z
dc.date.available2023-10-17T14:45:54Z
dc.date.issued2021
dc.description.abstractIn the present work, a silver(I) complex with the antimycobacterial drug isoniazid (inh) is described. Elemental and thermogravimetric analyses confirmed a 1:1 metal:ligand ratio for the silver-isoniazid (Ag-inh) complex with molecular composition AgC6H7N3O·NO3. Infrared (IR) analysis suggests a bidentate coordination of isoniazid to silver by the nitrogen of the NH2 group and by the oxygen of the C=O group, and also confirms the presence of free nitrate anion. Coordination by the NH2 group was reinforced by NMR measurements. Computational simulations using the density functional theory (DFT) reinforced that the ligand coordinates to the silver atom by the NH2 and C=O groups. The silver complex presented a minimal inhibitory concentration (MIC90) of 0.78 μg/mL against the standard Mycobacterium tuberculosis strain H37Rv. The data reported herein warrants further investigation on Ag-inh complex as a potential agent against tuberculosis.
dc.identifier.citationPARIS JUNIOR, José Alberto et al. Synthesis, spectroscopic characterization and in vitro antibacterial and antiviral activities of novel silver(I) complexes with mafenide and ethyl-mafenide. Química Nova, São Paulo, v. 44, n. 3, p. 278-283, 2021. DOI: 10.21577/0100-4042.20170681. Disponível em: https://quimicanova.sbq.org.br/default.asp?ed=303. Acesso em: 27 set. 2023.
dc.identifier.doi10.21577/0100-4042.20170681
dc.identifier.issne- 1678-7064
dc.identifier.issn0100-4042
dc.identifier.urihttp://repositorio.bc.ufg.br//handle/ri/23631
dc.language.isoeng
dc.publisher.countryBrasil
dc.publisher.departmentInstituto de Química - IQ (RMG)
dc.rightsAcesso Aberto
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectMetallodrugs
dc.subjectBioinorganic chemistry
dc.subjectMolecular modeling
dc.subjectMycobacterium tuberculosis
dc.subjectAntibacterial assays
dc.titleSynthesis, characterization, DFT modeling and in vitro antimycobacterial activity assays of a silver(I)-isoniazid complex
dc.typeArtigo

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