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

dc.contributor.authorParis Junior, Jose Alberto
dc.contributor.authorCavicchioli, Mauricio [UNESP]
dc.contributor.authorAmaral Machado, Rachel Temperani [UNESP]
dc.contributor.authorPavan, Fernando [UNESP]
dc.contributor.authorNakahata, Douglas Hideki
dc.contributor.authorCorbi, Pedro Paulo
dc.contributor.authorFerreira Costa, Adao Marcos
dc.contributor.authorPereira, Douglas Henrique
dc.contributor.authorMassabni, Antonio Carlos
dc.contributor.institutionUniv Araraquara
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade Estadual de Campinas (UNICAMP)
dc.contributor.institutionUniv Fed Tocantins
dc.date.accessioned2021-06-25T15:06:18Z
dc.date.available2021-06-25T15:06:18Z
dc.date.issued2021-01-01
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 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.en
dc.description.affiliationUniv Araraquara, BR-14801320 Araraquara, SP, Brazil
dc.description.affiliationUniv Estadual Paulista, Inst Quim, Dept Quim Analit Fis Quim & Inorgan, BR-14800900 Araraquara, SP, Brazil
dc.description.affiliationUniv Estadual Paulista, Fac Ciencias Farmaceut, Dept Ciencias Biol, BR-14800903 Araraquara, SP, Brazil
dc.description.affiliationUniv Estadual Campinas, Inst Quim, BR-13083970 Campinas, SP, Brazil
dc.description.affiliationUniv Fed Tocantins, Campus Gurupi, Gurupi, TO, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Inst Quim, Dept Quim Analit Fis Quim & Inorgan, BR-14800900 Araraquara, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Fac Ciencias Farmaceut, Dept Ciencias Biol, BR-14800903 Araraquara, SP, Brazil
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipIdFAPESP: 2015/20882-3
dc.description.sponsorshipIdFAPESP: 2017/11570-3
dc.description.sponsorshipIdFAPESP: 2018/12062-4
dc.description.sponsorshipIdFAPESP: 2013/08293-7
dc.description.sponsorshipIdFAPESP: 2017/11485-6
dc.description.sponsorshipIdCAPES: 001
dc.format.extent278-283
dc.identifierhttp://dx.doi.org/10.21577/0100-4042.20170681
dc.identifier.citationQuimica Nova. Sao Paulo: Soc Brasileira Quimica, v. 44, n. 3, p. 278-283, 2021.
dc.identifier.doi10.21577/0100-4042.20170681
dc.identifier.fileS0100-40422021000300278.pdf
dc.identifier.issn0100-4042
dc.identifier.scieloS0100-40422021000300278
dc.identifier.urihttp://hdl.handle.net/11449/210371
dc.identifier.wosWOS:000655052000003
dc.language.isoeng
dc.publisherSoc Brasileira Quimica
dc.relation.ispartofQuimica Nova
dc.rights.accessRightsAcesso aberto
dc.sourceWeb of Science
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 COMPLEXen
dc.typeArtigo
dcterms.rightsHolderSoc Brasileira Quimica
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Química, Araraquarapt
unesp.departmentCiências Biológicas - FCFpt
unesp.departmentFísico-Química - IQARpt

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