Silver and carbon nitride-doped nickel selenide for effective dye decolorization and bactericidal activity: in silico docking study.

In this study, nickel selenide (NiSe), Ag/C 3 N 4 -NiSe, and C 3 N 4 /Ag-NiSe nanowires (NWs) were synthesized via coprecipitation. The prepared NWs were employed for the degradation of the rhodamine B (RhB) dye in the absence of light using sodium borohydride (NaBH 4 ), bactericidal activity against pathogenic Staphylococcus aureus ( S. aureus ) and in silico docking study to investigate the d-alanine ligase (DDl) and deoxyribonucleic acid (DNA) gyrase of S. aureus . NWs demonstrate a catalytic degradation efficiency of 69.58% toward RhB in a basic medium. The percentage efficacy of the synthesized materials was evaluated as 19.12-42.62% at low and 36.61-49.72% at high concentrations against pathogenic S. aureus . Molecular docking results suggest that both C 3 N 4 /Ag-doped NiSe and Ag/C 3 N 4 -doped NiSe possess inhibitory activities toward DDl and DNA gyrase of S. aureus , which coincides with the in vitro bactericidal activity. Based on the research outcomes, the synthesized NWs show potential as an effective agent for water purification and resistance to microbial contaminants.