Chitosan and carbon nitride doped barium hydroxide nanoparticles served as dye degrader and bactericidal potential: A molecular docking study

Chitosan (CS) and different concentration of graphitic carbon nitride (g-C₃N₄) (0.02 wt% and 0.04 wt%) doped barium hydroxide (Ba(OH)₂) nanoparticles (NPs) were harvested through co-precipitation route. Degradation of the potentially harmful methylene blue (MB) dye and evaluation of the antibacterial potential of the produced CS/g-C₃N₄-doped Ba(OH)₂ NPs were the primary objectives of this study. In addition, the produced NPs were analyzed through structural, optical and morphological techniques to evaluate optical features, phase formation, elemental composition, functional groups presence, surface morphology, crystallinity, and interlayer spacing. The photocatalytic activity was assessed against the degradation of MB by varying pH, whereas Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) pathogens were utilized to determine bactericidal potential in terms of inhibition zone (mm) measured through Vernier caliper. Highly (4 %) CS/g-C₃N₄-doped Ba(OH)₂ NPs explored effective degradation and antibacterial results as 89.39 % in neutral medium and 7.85 mm against E. coli pathogens, respectively. In silico, molecular docking studies against DNA gyrase and β-lactamase enzyme from both E. coli and S. aureus were performed to rationale mechanism governing the anti-bacterial potential of these synthesized NPs.