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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.)

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

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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]
Total Authors: 13
[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
Total Affiliations: 6
Document type: Journal article
Web of Science Citations: 1

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)

FAPESP's process: 11/16380-1 - Au, Re and Tc thiosemicarbazones complexes of interest in the development pharmaceuticals or radiopharmaceuticals for diagnostic or therapy
Grantee:Pedro Ivo da Silva Maia
Support Opportunities: Scholarships in Brazil - Post-Doctoral
FAPESP's process: 09/54011-8 - Acquisition of a single-crystal X-ray diffractometer for the structural analysis of small molecules and proteins
Grantee:Victor Marcelo Deflon
Support Opportunities: Multi-user Equipment Program
FAPESP's process: 13/14957-5 - Research potential against tuberculosis of a new class of furoxan compounds and nanostructured compounds of the ruthenium(II) and copper (II)
Grantee:Fernando Rogério Pavan
Support Opportunities: Research Grants - Young Investigators Grants