Antibacterial Potential of New Copper (II) Complexes: Synthesis, Characterization, and Molecular Docking

Abstract The present study aimed to syntheses five ligands using novel azo compounds (Z1-Z5) by the reaction between braimary aromatic amines and different substituted phenols. Coordination complexes were synthesized by reacting copper chloride salt with the prepared ligands. Reactions were monitored using thin-layer chromatography (TLC). The prepared compounds using spectroscopic techniques like Fourier Transform Infrared (FT-IR) and Proton Nuclear Magnetic Resonance (1H-NMR). Physical and spectroscopic methods were used to study these compounds by analyzing color changes and melting point fluctuations. Electrical methods, including molar conductivity and the molar ratio approach, were used to quantify the complex’s metal concentration. The effectiveness of substances against bacteria Z1–Z5 was evaluated in comparison to that of Amoxicillin against a variety of distinct bacterium, such as gram-negative Staphylococcus aureus and gram-positive antibiotic resistant Escherichia coli. Against the bacterial strains, compounds (Z1-Z5) showed antibacterial efficacy ranging from moderate to remarkable. According to the findings of the investigation, the structural formula of the complexes that were formed agreed with the theoretical studies. Screening of the 4H2M and 3FYV binding pockets led to optimal molecular docking interaction results and determination of binding energy values for the synthesized ligands.