Molecular Docking and Green Synthesis of Bioinorganic TiO2 Nanoparticles against E.coli and S.aureus

Abstract

This study used a simple solution evaporation approach to make a bioinorganic titanium dioxide (Bi-TiO₂) photocatalyst for dye contaminant degradation. A variety of techniques, including X-ray diffraction (XRD), Fourier-transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM) coupled with energy dispersive X-ray analysis (EDAX), and differential reflectance spectroscopy, had been employed to classify the structural and optical properties of the prepared bioinorganic photocatalyst (UV-DRS). Using simulated solar irradiation, the photocatalytic activity of the produced Bi-TiO₂ nanoparticles was examined by detecting the degradation of a solution of methylene blue (MB) as a model dye molecule. The developed Bi-TiO₂ photocatalyst demonstrates superior photocatalytic action than commercially available powder TiO₂, according to photo-degradation experiments. E.coli and S.aureus bacterial strains were employed to assess the antibacterial activity of Bi-TiO₂ nanoparticles. The most active molecules that gain antibacterial activity were examined in isolated or extracted components from the tulsi plant. The chosen compounds were docked with thymidylate kinase (TMPK), a potential therapeutic goal for the preparation of novel antibacterial drugs with the PDB ID of 4QGG. Five compounds, namely rosmarinic acid, vicenin-2, orientin, vitexin, and isoorientin, out of the 27 chosen compounds, showed a higher docking score and may aid in boosting antibacterial activity. The synthesized Bi-TiO₂ nanoparticles produced antibacterial activity that was effective against Gram-positive bacteria. The nanomaterials that have been synthesized have a lot of potential in wastewater treatment and biomedical management technologies.