Graphitic-carbon nitride and polyvinylpyrrolidone capped barium oxide nanocomposites served as dye degrader and bactericidal potential: A molecular docking study

•BaO NRs doped PVP and g-C3N4 was carried out using co-precipitation rout.•It ascribed a notable result (100 %) of RhB degradation in basic medium.•It represents the remarkable antimicrobial efficacy (0–3.05 mm) against S. aureus.•This ternary composite was proven an efficient catalyst and inactivation of S. aureus. The removal of cationic dyes from wastewater and inactivation of bacterial pathogens in mastitic milk attracted significant attention from researchers to overcome their impact on the environment and ecosystem challenges. In recent research work, the synthesis of BaO nanorods (NRs) capped with 3 wt% polyvinylpyrrolidone (PVP) and varying quantities (2 and 4 wt%) of graphitic-carbon nitride (g-C3N4) was carried out using an eco-friendly, low-cost co-precipitation approach. The primary objective of this study is to explore the potential application of a ternary system for the disinfection of contaminated water besides investigating its antibacterial capabilities. Adding g-C3N4 and PVP to BaO enhances morphological and chemical stability, suppresses the population of charge carriers, facilitates dye degradation, and exhibits notable efficacy in antibacterial activity owing to its reduced bandgap energy. The higher concentration of g-C3N4/PVP- BaO ascribed notable results of Rhodamine B (RhB) degradation (19.3–100 %) in a basic medium rather than acidic and neutral media. A high concentration of g-C3N4 nanocatalyst represents the remarkable antimicrobial efficacy (0–3.05 mm) against Staphylococcus aureus (S. aureus). The findings from molecular docking investigation indicate g-C3N4/PVP-BaO NRs suppressive effects for DNA gyraseS. aureus, which is comparable with their reported bactericidal efficacy.