Autor(es): Paris Junior, Jose Alberto ; Cavicchioli, Mauricio [UNESP] ; Amaral Machado, Rachel Temperani [UNESP] ; Pavan, Fernando [UNESP] ; Nakahata, Douglas Hideki ; Corbi, Pedro Paulo ; Ferreira Costa, Adao Marcos ; Pereira, Douglas Henrique ; Massabni, Antonio Carlos
Data: 2021
Identificador Persistente: http://hdl.handle.net/11449/210371
Origem: Oasisbr
Assunto(s): metallodrugs; bioinorganic chemistry; molecular modeling; Mycobacterium tuberculosis; antibacterial assays
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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 center dot 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 mu g/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.
Univ Araraquara, BR-14801320 Araraquara, SP, Brazil
Univ Estadual Paulista, Inst Quim, Dept Quim Analit Fis Quim & Inorgan, BR-14800900 Araraquara, SP, Brazil
Univ Estadual Paulista, Fac Ciencias Farmaceut, Dept Ciencias Biol, BR-14800903 Araraquara, SP, Brazil
Univ Estadual Campinas, Inst Quim, BR-13083970 Campinas, SP, Brazil
Univ Fed Tocantins, Campus Gurupi, Gurupi, TO, Brazil
Univ Estadual Paulista, Inst Quim, Dept Quim Analit Fis Quim & Inorgan, BR-14800900 Araraquara, SP, Brazil
Univ Estadual Paulista, Fac Ciencias Farmaceut, Dept Ciencias Biol, BR-14800903 Araraquara, SP, Brazil
FAPESP: 2015/20882-3
FAPESP: 2017/11570-3
FAPESP: 2018/12062-4
FAPESP: 2013/08293-7
FAPESP: 2017/11485-6
CAPES: 001
