article · Bulletin of the Chemical Society of Ethiopia
New coordination complexes combining cobalt, nickel, and copper with a newly synthesised Schiff base ligand have been produced and structurally mapped. Experimental characterisation and density functional theory calculations show that the ligand acts in a bidentate manner, binding to the metal ions through azomethine nitrogen and carboxylic oxygen atoms. Laboratory assessments demonstrate that all three metal complexes exhibit broad antimicrobial activity, effectively inhibiting both Gram-positive and Gram-negative bacteria as well as fungal strains. Furthermore, molecular docking studies reveal specific binding interactions between these metal complexes and targeted bacterial proteins, supporting their biological mechanism. These findings outline the baseline chemical properties and antimicrobial behaviour of these transition metal compounds.
Pathogenic bacteria and fungi increasingly resist standard therapeutic options, driving the search for alternative antimicrobial agents. By combining organic ligands with transition metals, researchers can identify new chemical structures capable of targeting microbial proteins. Understanding how these compounds bind and disrupt microorganisms provides essential groundwork for exploring new therapies against infectious diseases.
This research represents early-stage laboratory discovery with potential relevance to pharmaceutical development for antimicrobial treatments. Prospective users include pharmaceutical chemists and drug development teams seeking novel metal-based leads. However, the technology is at an early experimental phase, having only undergone in vitro assays and computational docking, meaning substantial preclinical testing and safety evaluations remain necessary before commercial use.
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New 2-[(4-[(4-methylphenyl)sulfonothioyl)methylene]aminobenzoic acid ligand-Co(II), Ni(II), and Cu(II) complexes are synthesized and characterized in this article. Elemental analysis, mass spectroscopy, conductivity tests, magnetic susceptibility, Fourier transform infrared spectroscopy, thermogravimetric analysis, electronic absorption spectroscopy, and density functional theory calculations were used to determine the coordination mode, and geometry of the synthesized compounds. The Schiff-base ligand was shown to be mono-negatively charged and coordinate to metal ions in a bi-dentate mode through azomethine nitrogen (-CH=N-) and carboxylic Oxygen (-COOH). Density functional theory (DFT) calculations were performed in addition to the experimental data to assess the most probable structures of the complexes. In addition, the biological activities of these compounds were evaluated by in vitro antibacterial and antifungal assays. These novel Co(II), Ni(II), and Cu(II) compounds were shown to be active against a wide variety of microorganisms, including Gram-positive and Gram-negative bacteria, as well as fungi. Following that, molecular docking was used to analyze the complexes' interactions with bacterial proteins, validating the therapeutic potential of the metal-containing compounds. KEY WORDS: Metal complexes, Schiff-base, DFT, Antibacterial, Antifungal, Molecular docking Bull. Chem. Soc. Ethiop. 2024, 38(2), 325-346. DOI: https://dx.doi.org/10.4314/bcse.v38i2.5
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DOI: 10.4314/bcse.v38i2.5
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