A facile single-step wet chemical synthesis of a transition-metal-doped molybdate derivative was achieved via anOcimum tenuiflorumextract-mediated green approach. The Synthesized nanomaterials of doped molybdate were characterized by optical and other spectroscopic techniques, which confirmed the size of nanocrystalline (~27.3 nm). The thermal stability of the nanomaterials confirmed through thermogravimetric analysis showed similarity with nanomaterials of Mn-ZnMoO4. Moreover, the nanoparticles displayed a non-toxic nature and showed antibactericidal activity. The impact of doping was reflected in band gap measurements; undoped ZnMoO4showed relatively lower band gap in comparison to Mn-doped ZnMoO4. In the presence of light, ZnMoO4nanomaterials a exhibited photocatalytic response to solochrome dark blue dye with a concentration of 50 ppm. OH−and O2*−radicals also destroyed the blue color of the dye within 2 min and showed potential antibactericidal activity towards both Gram-positive and Gram-negative bacteria, representing a unique application of the green-synthesized nanocatalyst.