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.
Gul et al. (Wed,) studied this question.