Comprehensive assessment of titanium oxide nanoparticles synthesized by Withania coagulans , integrating structural characterization and biological activity

Green synthesis of nanoparticles (NPs), using medicinal plants, has emerged as a sustainable strategy to overcome the limitations of conventional chemical routes. In the present work, titanium dioxide nanoparticles (TiO2NPs) were phyto-fabricated using Withania coagulans extract and comprehensively characterized by UV–Vis, FTIR, XRD, SEM, EDX, DLS, and zeta potential analyses. The TiO2NPs exhibited a mean particle size of 71 nm with a zeta potential of−36.73 mV, confirming nanoscale stability. Density Functional Theory (DFT) studies revealed a HOMO–LUMO gap of 4.52 eV, indicating favorable electronic transitions supporting reactive oxygen species (ROS) generation. Biologically, the NPs showed strong antimicrobial activity against Gram-positive and negative bacterial strains. Antioxidant assays revealed dose-dependent activity, while anticancer studies demonstrated 57% growth inhibition of tested cancer cell lines at 100 µg/mL concentration. In vivo wound healing in albino rats confirmed significant activity, with nearly complete wound closure by day 15 in the TiO2NP-treated group, comparable to the standard Sufre Tulle®. These findings establish W. coagulans–mediated TiO2NPs as multifunctional nanomaterials with promising applications in antimicrobial formulations, antioxidant therapeutics, cancer treatment, and advanced wound care systems.