In this research, the pulsed-laser ablation (PLA) method was used as a facile and green approach to prepare copper zinc nanoalloys hybrid with tizanidine molecules, and perfprmed by ablation of a brass target in aqueous solution of tizanidine. The nanoparticles were characterized by UV and fluorescence spectroscopy. The formed phases were investigated by XRD method. The results of XRD patterns showed that the prepared Cu-Zn nanoparticles have a ? phase containing Cu 5 Zn 8 and the presence of tizanidine molecule in solution controls the surface oxidation process of Cu-Zn nanoparticles. Compared to the free nanoparticles, the agglomeration of the nanoparticles in the hybridized state with tizanidine is reduced, and thus, tizanidine exhibits a stabilizing effect on the Cu-Zn nanoparticles. The FT-IR spectroscopy was used to confirm the surface coating of the nanoparticle with tizanidine drug. Using the TEM and SEM images, it was found that the prepared nanoparticles have an average size of 11 nm and a spherical shape. The Theoretical calculations were also performed to study the description of the orientation of the tizanidine molecule in the interaction with Cu–Zn nanoparticles. Finally, as an application, the antibacterial activity of tizanidine-coated copper-zinc nanoparticles on Escherichia coli and Staphylococcus aureus was investigated. The Tizanidine-coated copper-zinc nanoparticles exhibited effective antibacterial activity against both bacteria