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Titanium dioxide nanoparticles (TiO2 NPs) have garnered considerable attention due to their diverse applications. Introducing niobium (Nb) and nitrogen (N) doping, followed by functionalization with Mucuna pruriens beans methanolic extracts, offers a novel avenue to harness their antioxidant potential. This functionalization enables Nb-N doped TiO2 NPs to engage with the bioactive compounds inherent to M. pruriens beans methanolic extracts, thereby fostering a synergistic enhancement of antioxidant activity. This study focuses on the functionalization of doped Nb-N-TiO2 NPs and evaluates the antioxidative capabilities of those functionalized NPs to pure doped Nb-N-TiO2 NPs. These functionalized NPs (FNb-N-TiO2) underwent characterization through ultraviolet–visible spectroscopy (UV–Vis), Fourier Transform Infrared Spectroscopy (FTIR), and Scanning electron microscopy (SEM) analysis. Subsequently, their antioxidant capabilities were evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH) and Ferric Reducing Antioxidant Power Assay (FRAP) assays. Functionalized Nb-N-TiO2 NPs FTIR peaks exhibited at 2430 and 2010 cm−1; unrelated peak vibrations are associated with the (Nb-N) doping, and the increased transmittance signifies successful functionalization and potential bonding between M. pruriens extract phytochemicals. A distinctive triangular aggregation pattern in SEM ranging in size from 5 µm to 500 nm was seen in FNb-N-TiO2. At a concentration of 500 μL−1, FNb-N-TiO2 exhibited exceptionally high antioxidant activity, reaching an impressive 70% compared with pure Nb-N-TiO2 NPs at 51%. The results demonstrated that FNb-N-TiO2 NPs exhibit significant antioxidant properties compared to their non-functionalized, pure Nb-N-TiO2 NPs. In conclusion, this study substantiates the considerable antioxidant potential of doped Nb-N-TiO2 NPs mediated by M. pruriens methanolic extract, thereby emphasizing their potential for diverse applications in both biomedical and environmental sciences. [ABSTRACT FROM AUTHOR]