Facile synthesis and characterization of novel WO₃-graphene oxide nano-composite: Antibacterial activities determination and modelling study

Given the rapid increase in bacterial resistance to antibiotics, nanocomposites were prepared using a novel and controlled method: the two-step hydrothermal synthesis of tungsten oxide and graphene oxide nanocomposites (1:1). The originality of this work lies in the strategic use of citric acid and sodium sulfate as structural guides to control the growth of tungsten oxide crystals before their integration with graphene oxide sheets. This optimized pathway, characterized using UV–Vis spectroscopy, photoluminescence, Raman spectroscopy, field-emission scanning electron microscopy, X-ray energy dispersion analysis, and X-ray diffraction, ensured superior homogeneity and high structural integrity compared to conventional methods. The results revealed improved crystallinity, a narrower energy gap, and reduced charge carrier recombination. Morphological analysis confirmed the presence of quasi-cubic tungsten oxide molecules effectively embedded within the wrinkled graphene oxide layers. The nanocomposite demonstrated superior antibacterial activity against Streptococcus mutans and Pseudomonas aeruginosa (23.43 mM and 20.85 mM, respectively), driven by the synergistic generation of reactive oxygen species. Furthermore, molecular docking studies confirmed its high potential, revealing exceptional affinity for the 6SPE receptor in Streptococcus mutans and the 7BCZ receptor in Pseudomonas aeruginosa (−13.21 and − 13.73 kcal/mol, respectively) through extensive hydrogen bonding and π-cationic interactions. This work presents an optimized manufacturing strategy for WO₃:GO, underscoring its potential as a next-generation, high-performance antibacterial agent for biomedical and environmental applications.