Abstract

Schiff base ligands and their metal complexes are considered promising leads in the development of new drugs. Due to their outstanding ability to form chelate complexes, they readily interact with transition metals that possess vacant orbitals. Several benefits are associated with transition metal complexes due to their favorable biocompatibility and low toxicity in biological systems. This study seeks to investigate the synthesis of a novel Schiff base derived from two starting materials: p-anisaldehyde and cefuroxime. The p-anisalce-furoxime complex was synthesized by coordinating it with metal ions of Cu2+ and Fe2+, resulting in the formation of new metal complexes. The antibacterial properties of these compounds were examined against gram-positive and gram-negative bacterial strains. These synthesized compounds were characterized using infrared spectroscopy (IR), nuclear magnetic resonance (NMR) spectroscopy 1H NMR, 13C NMR and UV spectral data, along with melting point measurement, chemical testing, thin-layer chromatography (TLC) analysis, colour testing, and solubility assessments, etc. Molecular docking analysis was concluded by docking SB ligands with PBP2x of Streptococcus pneumoniae, revealing the binding affinity of the SB ligand. The pharmacokinetic parameters of the SB ligand were studied using online web tools such as Swiss absorption, distribution, metabolism, and excretion (ADME), pkCSM, and admetSAR. Thus, the synthesized Schiff base ligand and its metal complexes exhibit significant antibacterial activity and promising pharmacokinetic properties, making them strong candidates for further development as antibacterial agents.