Fragmentation Study, Dual Anti-Bactericidal and Anti-Viral Effects and Molecular Docking of Cobalt(III) Complexes

Autor(es):Mostrar menos -

Fernandes, Laisa de P. ^[1] ; Silva, Julia M. B. ^[2] ; Martins, Daniel O. S. ^[2] ; Santiago, Mariana B. ^[2] ; Martins, Carlos H. G. ^[2] ; Jardim, Ana C. G. ^[2] ; Oliveira, Guedmiller S. ^[1] ; Pivatto, Marcos ^[1] ; Souza, Rafael A. C. ^[1] ; Franca, Eduardo de F. ^[3] ; Deflon, Victor M. ^[4] ; Machado, Antonio E. H. ^{[5, 6]} ; Oliveira, Carolina G. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Fed Uberlandia, Inst Quim, BR-38400902 Uberlandia, MG - Brazil

^[2] Univ Fed Uberlandia, Inst Ciencias Biomed, BR-38408100 Uberlandia, MG - Brazil

^[3] Univ Fed Uberlandia, Inst Quim, Lab Cristalog & Quim Computac, UFU, BR-38408100 Uberlandia, MG - Brazil

^[4] Univ Sao Paulo, Inst Quim Sao Carlos, BR-13566590 Sao Carlos, SP - Brazil

^[5] Univ Fed Uberlandia, Inst Quim, Lab Fotoquim & Ciencias Mat, BR-38400902 Uberlandia, MG - Brazil

^[6] Univ Fed Catalao, Programa Posgrad Ciencias Exatas & Tecnol, Unidade Acad Especial Fis, BR-75705220 Catalao, Go - Brazil

• Tipo de documento: Artigo Científico
• Fonte: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES; v. 21, n. 21 NOV 2020.
• Citações Web of Science: 1

Resumo

Considering our previous findings on the remarkable activity exhibited by cobalt(III) with 2-acetylpyridine-N(4)-R-thiosemicarbazone (Hatc-R) compounds against Mycobacterium tuberculosis, the present study aimed to explored new structure features of the complexes of the type {[}Co(atc--R)(2)]Cl, where R = methyl (Me, 1) or phenyl (Ph, 2) (C-13 NMR, high-resolution mass spectrometry, LC-MS/MS, fragmentation study) together with its antibacterial and antiviral biological activities. The minimal inhibitory and minimal bactericidal concentrations (MIC and MBC) were determined, as well as the antiviral potential of the complexes on chikungunya virus (CHIKV) infection in vitro and cell viability. {[}Co(atc-Ph)(2)]Cl revealed promising MIC and MBC values which ranged from 0.39 to 0.78 mu g/mL in two strains tested and presented high potential against CHIKV by reducing viral replication by up to 80%. The results showed that the biological activity is strongly influenced by the peripheral substituent groups at the N(4) position of the atc-R1- ligands. In addition, molecular docking analysis was performed. The relative binding energy of the docked compound with five bacteria strains was found in the range of -3.45 and -9.55 kcal/mol. Thus, this work highlights the good potential of cobalt(III) complexes and provide support for future studies on this molecule aiming at its antibacterial and antiviral therapeutic application. (AU)

• Processo FAPESP: 11/16380-1 - Complexos de Au, Re e Tc com tiossemicarbazonas de interesse no desenvolvimento de fármacos ou radiofármacos para diagnóstico ou terapia
• Beneficiário: Pedro Ivo da Silva Maia
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 09/54011-8 - EMU: aquisição de difratômetro de raios X de monocristal para análise estrutural de moléculas pequenas e proteínas
• Beneficiário: Victor Marcelo Deflon
• Modalidade de apoio: Auxílio à Pesquisa - Programa Equipamentos Multiusuários
• Processo FAPESP: 13/14957-5 - Investigação do potencial contra tuberculose de uma nova classe de compostos furoxânicos e compostos nanoestruturados de rutênio(II) e cobre(II)
• Beneficiário: Fernando Rogério Pavan
• Modalidade de apoio: Auxílio à Pesquisa - Jovens Pesquisadores