Green synthesis an eco-friendly route for the synthesis of iron oxide nanoparticles using aqueous extract of Thevetia peruviana and their biological activities.

This study reports the plant extract-assisted synthesis of iron oxide (Fe3O4) using the aqueous extract of Thevetia peruviana. The synthesized IONPs were confirmed via UV-Vis spectroscopy (295 nm) and characterized using FTIR and SEM. Density Functional Theory (DFT) calculations indicated a thermodynamically and mechanically stable system with semimetallic behavior and visible light absorption. The biological activities of the IONPs were evaluated, including enzyme inhibition assays for urease, α-glucosidase, carbonic anhydrase-II, and xanthine oxidase, as well as anticancer activity. The Fe₃O₄ NPs exhibited potent enzyme inhibition, including urease (94.78%, IC₅₀ = 24.98 µg/mL), α-glucosidase (86.09%), and carbonic anhydrase-II (82.98%, IC₅₀ = 24.78 µg/mL). Additionally, molecular docking was performed to evaluate the interaction of Fe₃O₄ NPs with target enzymes, supporting their inhibitory potential. The NPs also demonstrated notable anticancer activity, particularly against MDR 2780AD (IC₅₀ = 0.39 µg/mL). These results showed significant enzyme inhibition and anticancer properties, indicating the potential of these green-synthesized IONPs in biomedical applications.