article · ACS Omega
Researchers synthesised and characterised three new metal complexes: CrAz2, MnAz2, and FeAz2, using various analytical techniques including IR, mass, and UV spectroscopy, elemental analysis, conductivity, magnetic tests, and thermogravimetric analysis. The azo-ligand, 4-(2-hydroxyphenylAzo)-1-naphthol (Az), was found to bind to metal ions through its nitrogen and oxygen atoms. Density functional theory was applied to refine the structures and analyse quantum chemical characteristics. In vitro studies revealed that the metal complexes exhibited higher antifungal and antibacterial activity against several hazardous organisms than the free ligand, with MnAz2 showing the best activity. Molecular docking predicted the compounds' binding affinity to E. coli.
This research contributes to the development of new compounds with potential antimicrobial properties. Discovering novel agents that can effectively combat hazardous bacteria and fungi is crucial for addressing growing concerns about drug resistance and improving public health outcomes.
The findings suggest these compounds could be valuable for future medical applications, particularly as antimicrobial agents. This early-stage research, involving synthesis, characterisation, and in vitro testing, indicates potential for drug development. Future work could involve pharmaceutical companies or medical research organisations exploring these compounds for new treatments against bacterial and fungal infections.
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This work synthesized three new CrAz<sub>2</sub>, MnAz<sub>2</sub>, and FeAz<sub>2</sub> complexes and investigated them using IR, mass, UV spectroscopy, elemental analysis, conductivity and magnetic tests, and thermogravimetric analysis. The azo-ligand, 4-(2-hydroxyphenylAzo)-1-naphthol (Az), couples with metal ions <i>via</i> its nitrogen (in -N=N- bonds) and oxygen (in hydroxyl group) atoms, according to the IR spectra of these complexes. Through thermal examination (TG/TGA), the number and location of water in the complexes were also determined. Density functional theory (DFT) theory is applied to ameliorate the structures of the ligand (Az) and metal complexes and analyze the quantum chemical characteristics of these complexes. The antifungal and antibacterial activity of the ligand and its complexes opposed to several hazardous bacteria and fungi was investigated in vitro. Metal complexes were discovered to have a higher inhibitory impact on some organisms than the free ligand. The MnAz<sub>2</sub> complex exhibited the best activity among the studied materials, whereas the CrAz<sub>2</sub> complex had the lowest. The compounds' binding affinity to the <i>E. coli</i> (PDB ID: 1hnj) structure was predicted using molecular docking. Binding energies were calculated by analyzing protein-substrate interactions. These encouraging findings imply that these chemicals may have physiological effects and may be valuable for a variety of medical uses in the future.
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DOI: 10.1021/acsomega.3c01413
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