FRAGMENTATION STUDY, DUAL ANTI-BACTERICIDAL AND ANTI-VIRAL EFFECTS AND MOLECULAR DOCKING OF COBALT (III) COMPLEXES
Carolina Gonçalves Oliveira
Oliveira, Carolina Gonçalves
Laísa de P. Fernandes
Fernandes, Laísa de P.
Júlia M. B. Silva
Silva, Júlia M. B.
Daniel O. S. Martins
Martins, Daniel O. S.
Mariana B. Santiago
Santiago, Mariana B.
Carlos H. G. Martins
Martins, Carlos H. G.
Ana C. G. Jardim
Jardim, Ana C. G.
Marcos Pivatto
Pivatto, Marcos
Rafael A. C. Souza
Souza, Rafael A. C.
Victor M. Deflon
Deflon, Victor M.
06/05/2021
33-55
2
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) (13C 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 µg/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.
Cobalt(III) complexes, Biological application, Mass spectrometry, Molecular docking.
Este capítulo está licenciado com uma Licença Creative Commons Atribuição-NãoComercial-SemDerivações 4.0 Internacional.
O conteúdo do capítulo e seus dados e sua forma, correção e confiabilidade, são de responsabilidade exclusiva do(s) autor(es). É permitido o download e compartilhamento desde que pela origem e no formato Acesso Livre (Open Access), com os créditos e citação atribuídos ao(s) respectivo(s) autor(es). Não é permitido: alteração de nenhuma forma, catalogação em plataformas de acesso restrito e utilização para fins comerciais. O(s) autor(es) mantêm os direitos autorais do texto.