Antimicrobial mechanical and molecular docking analysis of dental composite resin incorporating green synthesized titanium dioxide nanoparticles from Vitis vinifera extract

Abstract

Dental composites are widely used restorative materials but secondary caries to the restored tooth, polymerization shrinkage, and mechanical failure, limiting their longevity. Incorporating nanoparticles synthesized via eco-friendly methods offers a promising strategy to enhance composite performance. This study introduces a novel, eco-friendly strategy to enhance dental composite resins by incorporating TiO₂-NPs synthesized using Vitis vinifera extract. This study uniquely employs Vitis vinifera, rich in flavonoids and phenolics, as a reducing and capping agent, and for the first time integrates molecular docking analysis to explore the mechanistic antimicrobial interaction between TiO₂-NPs and Streptococcus mutans glucosyltransferase. The research evaluates the impact of these green-synthesized nanoparticles on antimicrobial properties, mechanical performance, polymerization shrinkage, and their molecular interactions with Streptococcus mutans glucosyltransferase via molecular docking analysis. The green-synthesized TiO₂-NPs were thoroughly characterized and integrated into dental composites at 10% and 20% by weight (Groups II and III, respectively), while Group I (control) contained only fumed silica fillers. The antimicrobial activity was assessed against S. mutans, S. sanguinis, and L. acidophilus, and mechanical properties (flexural strength and microhardness) were evaluated according to ISO standards. Polymerization shrinkage was measured using a strain gauge. Additionally, molecular docking analysis was performed to investigate the interaction of TiO₂-NPs with S. mutans glucosyltransferase. The modified composites exhibited significantly improved antimicrobial activity against key oral pathogens and superior mechanical properties compared to the control. Molecular docking studies provided insights into the potential antimicrobial mechanisms of TiO₂-NPs. These findings suggest that green-synthesized TiO₂-NPs offer a promising, eco-friendly approach to improve the performance and longevity of dental restorative materials.