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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

SYNTHESIS, CHARACTERIZATION, DFT MODELING AND IN VITRO ANTIMYCOBACTERIAL ACTIVITY ASSAYS OF A SILVER(I)-ISONIAZID COMPLEX

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Author(s):
Paris Junior, Jose Alberto [1] ; Cavicchioli, Mauricio [2] ; Amaral Machado, Rachel Temperani [3] ; Pavan, Fernando [3] ; Nakahata, Douglas Hideki [4] ; Corbi, Pedro Paulo [4] ; Ferreira Costa, Adao Marcos [5] ; Pereira, Douglas Henrique [5] ; Massabni, Antonio Carlos [1]
Total Authors: 9
Affiliation:
[1] Univ Araraquara, BR-14801320 Araraquara, SP - Brazil
[2] Univ Estadual Paulista, Inst Quim, Dept Quim Analit Fis Quim & Inorgan, BR-14800900 Araraquara, SP - Brazil
[3] Univ Estadual Paulista, Fac Ciencias Farmaceut, Dept Ciencias Biol, BR-14800903 Araraquara, SP - Brazil
[4] Univ Estadual Campinas, Inst Quim, BR-13083970 Campinas, SP - Brazil
[5] Univ Fed Tocantins, Campus Gurupi, Gurupi, TO - Brazil
Total Affiliations: 5
Document type: Journal article
Source: Química Nova; v. 44, n. 3, p. 278-283, 2021.
Web of Science Citations: 1
Abstract

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. (AU)

FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
FAPESP's process: 15/20882-3 - Metal complexes of sulfamethoxydiazine and sulfadimethoxine: synthesis, characterization and applications as antimicrobial agents for topical use
Grantee:Douglas Hideki Nakahata
Support Opportunities: Scholarships in Brazil - Doctorate
FAPESP's process: 17/11570-3 - Synthesis, characterization and uses of metal complexes for prevention, diagnosis and treatment of diseases, mainly neglected diseases.
Grantee:Antonio Carlos Massabni
Support Opportunities: Regular Research Grants
FAPESP's process: 17/11485-6 - Computational and theoretical developments based on ab initio methods and the Density Functional Theory
Grantee:Rogério Custodio
Support Opportunities: Regular Research Grants
FAPESP's process: 18/12062-4 - Synthesis, characterization and studies of interaction with biomolecules of metal complexes containing biologically active ligands: a strategy in the preparation of new agents with antibacterial and antiviral activities
Grantee:Pedro Paulo Corbi
Support Opportunities: Regular Research Grants