Polypyridyl iron(iii ) complexes containing long alkyl chains: synthesis, characterization, DFT calculations and biological activity
| Autor: | Rogério A. Gariani, André L. Amorim, Francielli S. Santana, Fernando R. Xavier, Marina Campos Rocha, Anderson F. Cunha, Carla Peres de Paula, Samuel R. Mendes, Ronny R. Ribeiro, Iran Malavazi, Matheus S. S. Paqui, Marcelo Melotti |
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| Rok vydání: | 2021 |
| Předmět: |
chemistry.chemical_classification
biology 010405 organic chemistry Ligand Biological activity General Chemistry Crystal structure 010402 general chemistry biology.organism_classification 01 natural sciences Catalysis 0104 chemical sciences Metal Crystallography chemistry Docking (molecular) visual_art Materials Chemistry visual_art.visual_art_medium Alkyl Bacteria Stoichiometry |
| Zdroj: | New Journal of Chemistry. 45:12902-12914 |
| ISSN: | 1369-9261 1144-0546 |
| Popis: | A polypyridyl ligand functionalized with a long alkyl chain (LC10) was prepared. The reaction of LC10 with selected iron salts of different stoichiometries formed two metal complexes: [Fe(LC10)(Cl)3] (1) and [Fe(LC10)2](ClO4)3·5H2O (2), which were fully characterized by a suite of physicochemical methods in which 1 had its crystal structure determined by XRD. The structural and spectroscopic data were tightly supported by DFT and TD-DFT calculations. The interaction between these two iron complexes and salmon sperm DNA was monitored spectrophotometrically in the UV region and binding constants (Kb) were estimated and docking studies were performed using the PatchDock® server. Both complexes had their biocide activity confirmed against selected microorganisms: Gram-positive (S. aureus) and Gram-negative (E. coli) bacteria, A. fumigatus and S. cerevisiae with good values of MBC and IC50. Finally, the cytotoxic activities of 1 and 2 were probed against the erythroleukemia K562 cell line after 24, 48 and 72 h of incubation. For all biological studies, the magnitude of the activity followed the order: 2 > 1 > LC10, which demonstrates the enhanced effect of iron when coordinated to the bioinspired ligand. |
| Databáze: | OpenAIRE |
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