Novel Ni(II) and Fe(III) Complexes With 1‐[(1‐hydroxypropyl)imino]methyl‐2‐naphthol: Synthesis, Characterization, Molecular Docking, and In Vitro Antimicrobial Evaluation

ABSTRACT This research unveils a family of novel metal complex compounds featuring Fe(III) and Ni(II) ions elegantly coordinated to a promising ligand. Comprehensive characterization, including conductivity measurements revealing non‐electrolytic behavior (molar conductivity: 19.85–20.22 Ω − 1 cm 2 mol − 1 ), and elemental analysis with excellent arrangement with experimental and theoretical results are confirmed by the formation of stable and neutral complexes. Spectroscopic techniques, such as IR spectroscopy, provided valuable insights into the coordination environment, with key shifts in the azomethine band indicating ligand‐to‐metal bonding. Furthermore, Ultraviolet–visible spectroscopy and magnetic moment measurements revealed octahedral geometries for both complex compounds, with Fe(III) adopting a low‐spin configuration (magnetic moment: 1.84 B.M.) and Ni(II) exhibiting a high‐spin state (magnetic moment: 2.73 B.M.). Job's method of continuous variation determined a 1:2 metal‐to‐ligand stoichiometry, further corroborated by mass spectrometry. The antimicrobial prowess of these meticulously crafted complexes proved to be significantly improved compared to the free ligand, with notable effectiveness against both Gram‐positive and Gram‐negative bacteria, as well as various mycological strains. For instance, against Escherichia coli , the activity index (AI) surged from 37.50% for the free ligand to 80.00% for the metal complexes, accompanied by a significant reduction in the lowest inhibitory concentration (MIC) from 200 to 100 µM. These results underscore the probable of these novel metal complex compounds as auspicious candidates for the enhancement of effective antimicrobial activities, offering a beacon of hope in the ongoing global health challenge of antimicrobial resistance.