Nowadays, metal oxide nanoparticles (MO NPs) are powerful tools for biological applications due to their distinctive features. Moreover, the biological efficacy of multimetallic NPs is more fascinating because of their structural modifications and synergistic effects. This study utilized the one-pot green route to fabricate trimetallic ZnO-MgO-CuO (ZMC) NPs employing a greener reducing agent from Artemisiaabyssinica leaf extract (AALE). The crystal structure, size, compositions, shapes, and external topology of ZMC NPs were characterized by Fourier transform infrared (FTIR), UV–Visible (UV–vis), X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), and transmission electron microscopy combined with selected area electron diffraction (TEM/HRTEM-SAED). The outcomes suggested that the bio-prepared ZMC NPs are highly crystalline and have hexagonal structures lattice with monoclinic symmetry and spherical morphology with average crystalline and particle sizes of 14.67 and 15.13 nm, respectively. Using MTT assay, the bio-prepared ZMC NPs demonstrated high inhibition percentage (94.37 ± 0.14 at 250 mg/mL) with an IC50 value of 24.83 mg/mL for MCF-7 cell lines. The in-vitro antibacterial potential of ZMC NPs has been evaluated against four bacterial (Gram-positive and Gram-negative) strains and has demonstrated the highest inhibition zone (35 ± 0.03 mm) against the S. aureus strain and the lowest inhibition zone (31 ± 0.11) against the E. coli strain. Moreover, ZMC NPs have also shown strong molecular binding interactions with amino acids of estrogen receptor (ERα), S. aureus, and E. coli with binding energies of − 9.85, − 12.31, and − 6.04 kcal/mole, respectively.
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