Nanotechnology is rapidly advancing, finding utility across various domains such as science, engineering, health, and pharmacy. The production of nanoparticles commonly involves diverse physical and chemical methods. However, simpler, eco-friendly, and cost-effective green synthesis approaches have recently emerged. The sustainable and efficient manufacture of titanium dioxide nanoparticles (TiO2-NPs), has attracted much attention in recent decades. The current review paper provides a comprehensive overview of the several TiO2-NPs that have been demonstrated to catalyse organic transformations, which includes the synthesis of bioactive compounds including benzimidazole, indole, pyrazole, pyrrole, quinoline, acridine, pyran, and pyrimidine derivatives. Additionally discussed and schematically demonstrated were recent synthesized pathways for functionalizing and altering TiO2-NPs to boost their catalytic effectiveness. The secret to catalysis's future lies in the creation of unique, extremely efficient, and reusable modified TiO2-NPs catalysts, which would pave the way for the development of more environmentally friendly and sustainable technology. This review will be useful for researchers who are trying to synthesize novel functionalized TiO2-NPs for sustainable development.