MoS₂/cellulose-doped ZnO nanorods for catalytic, antibacterial and molecular docking studies

Cellulose nanocrystals (CNCs) and molybdenum disulphide (MoS₂) incorporated into ZnO nanorods (NRs) were synthesized via a chemical precipitation route at room temperature. All concerned samples were characterized to examine their optical properties, elemental composition, phase formation, surface morphology and functional group presence. The aim of this research was to enhance the catalytic properties of ZnO by co-doping with various concentrations of CNCs and MoS₂ NRs. It was renowned that doped ZnO NRs showed superior catalytic activity compared to bare ZnO NRs. Statistically significant (p < 0.05) inhibition zones for samples were recorded for E. coli and S. aureus at low and high concentrations, respectively. The in vitro bactericidal potential of ZnO-CNC and ZnO-CNC-MoS₂ nanocomposites was further confirmed through in silico molecular docking predictions against the DHFR and DHPS enzymes of E. coli and S. aureus. Molecular docking studies suggested the inhibition of these enzyme targets by CNC nanocomposites as a possible mechanism governing their bactericidal activity.