Antibacterial activity and molecular docking studies of 1-(benzothiazolylamino) aryl methyl-2-naphthol catalyzed by steel waste-sourced iron oxide nanoparticles as a heterogeneous catalyst

Abstract

Extracting and reusing valuable components from iron-rich waste materials pose significant challenges but are crucial for economic benefits and environmental sustainability. In a recent study, Particles of γ-Fe2O3 were produced from different iron-rich waste materials. Additionally, a simple, efficient, and eco-friendly procedure for synthesizing 1-(benzothiazolylamino)methyl-2-naphthol derivatives was studied using iron oxide nanoparticles obtained from steel waste recycling as a catalyst. The final products were thoroughly characterized by FT-IR, 1H NMR, and 13C NMR spectroscopy, while the structure of γ-Fe2O3 was comprehensively analyzed using XRD, FT-IR, SEM, VSM, and TGA techniques. Molecular docking analysis was conducted to position the compounds within the active site of E. coli 2EG7, aiming to understand their potential mechanism of action, binding affinity, and how the molecules are oriented at the receptor's active site. The results revealed that all the synthesized compounds interact with the agonist within the active site of the 2EG7 protein. These findings suggest promising potential for these compounds as effective antibacterial agents. The in vitro antibacterial activity of the synthesized compounds was studied, and the MIC value was calculated using the broth dilution method.