Synthesis, characterization, DFT modeling and in vitro antimycobacterial activity assays of a silver(I)-isoniazid complex
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2021
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In 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.
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Metallodrugs, Bioinorganic chemistry, Molecular modeling, Mycobacterium tuberculosis, Antibacterial assays
Citação
PARIS 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.