Zinc(II) complexes of 3,5-dibromo-salicylaldehyde and α-diimines: Synthesis, characterization and in vitro and in silico biological profile.
J Inorg Biochem
; 226: 111659, 2022 01.
Article
em En
| MEDLINE
| ID: mdl-34801971
ABSTRACT
The synthesis of five neutral zinc(II) complexes of 3,5-dibromo-salicyladehyde (3,5-diBr-saloH) in the presence of nitrogen-donor co-ligands 2,2'-bipyridine (bipy), 1,10-phenanthroline (phen), 2,9-dimethyl-1,10-phenanthroline (neoc), or 2,2'-bipyridylamine (bipyam) was undertaken and complexes [Zn(3,5-diBr-salo)2(H2O)2] (1), [Zn(3,5-diBr-salo)2(bipy)] (2), [Zn(3,5-diBr-salo)2(phen)].3,5-diBr-saloΗ (3), [Zn(3,5-diBr-salo)2(neoc)] (4) and [Zn(3,5-diBr-salo)2(bipyam)] (5) were characterized by various techniques. The crystal structures of complexes 3 and 5 were determined by X-ray crystallography, revealing the co-existence of two different coordination modes of 3,5-diBr-salo- ligands. The new complexes show selective in vitro antibacterial activity against two Gram-positive and two Gram-negative bacterial strains. The complexes may scavenge 1,1-diphenyl-picrylhydrazyl and 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) radicals and reduce H2O2. The complexes may intercalate in-between the calf-thymus DNA-bases and have exhibited low-to-moderate ability to cleave supercoiled circular pBR322 plasmid DNA. The complexes may bind tightly and reversibly to bovine and human serum albumins. In order to explain the in vitro activity of the compounds, molecular docking studies were adopted on the crystal structure of calf-thymus DNA, human and bovine serum albumin, Escherichia coli and Staphylococcus aureus DNA-gyrase, 5-lipoxygenase, and 5-lipoxygenase activating protein. The employed in silico studies aimed to explore the ability of the compounds to bind to these target biomacromolecules, establishing a possible mechanism of action and were in accordance with the in vitro studies.
Palavras-chave
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Contexto em Saúde:
3_ND
Problema de saúde:
3_neglected_diseases
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3_zoonosis
Assunto principal:
Staphylococcus aureus
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Zinco
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Proteínas de Escherichia coli
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Aldeídos
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Inibidores Enzimáticos
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Escherichia coli
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Complexos de Coordenação
Limite:
Animals
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Humans
Idioma:
En
Revista:
J Inorg Biochem
Ano de publicação:
2022
Tipo de documento:
Article