Phytosynthesis of Copper Oxide Nanoparticles From <i>Pithecellobium dulce</i> : A Synergy of Experimental and In Silico Analysis for Biomedical Potential

Owing to their biological properties, green synthesis of nanoparticles is emerging as a promising area in nanobiotechnology. The present study evaluated the biosynthesis of copper oxide nanoparticles (CuONPs) using Pithecellobium dulce (Roxb.) Benth aqueous leaf extract and characterized PD-CuONPs via physicochemical, morphological and biological analyses. UV-visible spectroscopy and FTIR analysis revealed absorption maximum at 500 nm, with phenolic and amine moieties from the extract acting as reducing, capping and stabilizing agents. Morphological (FESEM and XRD) analysis showed quasi-spherical, crystalline nanoparticles, while elemental analysis (EDX) confirmed purity, with a prominent Cu peak at 18 keV and a weight percentage of 57.30%. PD-CuONPs exhibited a zeta potential of ∼17.8 mV, average size of 130 nm and PDI of 0.179, indicating their polydispersity. The synthesized PD-CuONPs demonstrated significant antioxidant and antibacterial activities, with the highest zone of inhibition (15.57 ± 0.5 mm) against Escherichia coli. α-Amylase (80%) and α-glucosidase (75%) inhibition assays indicated their potential antidiabetic nature. In vitro cytotoxicity assay showed 80% inhibition of MCF-7 breast cancer cells. PD-CuONPs showed IC₅₀ values of 59 µg/mL for α-amylase inhibition, 62 µg/mL for α-glucosidase inhibition and 43 µg/mL for anticancer activity. Furthermore, ADME, drug-likeness prediction, molecular docking and simulation analysis of the phytochemicals of P. dulce revealed that epigallocatechin, quercetin and luteolin showed superior performance against EGFR and may be responsible for the cytotoxic activity observed in the MCF-7 cell lines. These findings highlight PD-CuONPs as promising candidates for biomedical applications.