Dye degradation, antibacterial activity and molecular docking analysis of cellulose/polyvinylpyrrolidone-doped cadmium sulphide quantum dots

In present study, control sized cadmium sulphide (CdS) quantum dots (QDs) and cellulose nanocrystals grafted polyvinylpyrrolidone (CNC-g-PVP) doped CdS QDs were synthesized via co-precipitation. The suggested pathway is fruitful in throwing out organic pollutants like methylene blue (MB) from industrial water and bactericidal applications. A series of characterization techniques were used to determine the structural, optical and morphological qualities of prepared samples. The X-ray diffraction (XRD) pattern verified hexagonal structure with no significant change occurring in the spectrum upon doping (2, 4, and 6 %). The UV–vis spectrophotometer describes blueshift in absorption pattern, resulting in an increase in band gap energy (E_g) upon doping. Catalytic activity (CA) against MB in basic and neutral medium demonstrated remarkable results compared with the acidic medium. Furthermore, bactericidal potential of doped sample (6 %) exhibited the significantly higher inhibition zones of 5.25 mm and 4.05 mm against Staphylococcus aureus (S. aureus) or Gram-positive (G₊ve) and Escherichia coli (E. coli) or Gram-negative (G-ve), respectively. In silico predictions for these doped QDs were performed against selected enzyme targets (i.e. DNA gyrase and FabI) to unveil the mystery governing these bactericidal activities.