Efficient Samarium-Grafted-C 3 N 4 -Doped α-MoO 3 Used as a Dye Degrader and Antibacterial Agent: In Silico Molecular Docking Study.

This study was used to evaluate the catalytic activity (CA) and bactericidal activity of α-MoO 3 and Sm-g-C 3 N 4 -doped α-MoO 3 composites prepared through an efficient, cost-effective coprecipitation route. Their characteristic studies verify the formation of α-MoO 3 and its composites (3, 6, and 9 mL Sm-g-C 3 N 4 -doped α-MoO 3 ), which showed high crystallinity, as confirmed by X-ray diffraction (XRD) analysis. The production of superoxide and hydroxyl radicals due to charge transfer through α-MoO 3 and g-C 3 N 4 eventually forms electrons in g-C 3 N 4 and holes around α-MoO 3 . CA against Rhodamine B (RhB) in basic medium provides maximum results compared to acidic and neutral media. The bactericidal efficacy of the (9 mL) doped sample represents a greater inhibition zone of 6.10 mm against the negative bacterial strain Escherichia coli . Furthermore, in silico studies showed that the generated nanorods may inhibit DNA gyrase and dihydropteroate synthase (DHPS) enzymes.