2 and 4 wt% of g-C3N4 and a fixed amount of CS-doped ZnO have been prepared using co-precipitation techniques for catalytic dye degradation and antibacterial application. X-ray diffraction patterns and FTIR spectra have proven the confirmation of the development of g-C3N4/CS doped ZnO nanorods (NRs). The TEM study confirmed the formation of nanorods for ZnO, a sphere-like structure with the addition of CS and a layer over the carbon sphere, and nanorods were observed by doping g-C3N4. In the presence of NaBH4, 4 % g-C3N4/CS/ZnO nanostructures degraded 94.4 % RhB dye within 2 min, while 3.25 nm inhibitory zone was measured against Escherichia coli (E. coli) bacteria. These enhanced results were attributed to the increased surface area, which provided more active sites for the catalytic reduction and generated reactive oxygen species, contributing to enhanced antibacterial activity. The theoretical study of antibacterial activity for ZnO, CS-doped ZnO, and CS/g-C3N4-doped ZnO NRs was conducted through Molecular docking analysis against DNA gyrase in E. coli. The results of the docking studies show that these NRs may function as inhibitors of DNA gyrase. These findings provide valuable insights into the potential applications of NRs within the field of wastewater purification and biological sciences.