Outstanding Performance of Mg/g-CN-Doped AlO Serving as a Nanocatalyst and Its Bactericidal Behavior: An In Silico Molecular Docking Study.

A coprecipitation approach was employed to synthesize aluminum oxide (AlO) with a fixed quantity of graphitic carbon nitride (g-CN) and various concentrations of Mg (2 and 4 wt. %). The main objective of this research is to explore and enhance the dye degradation potential and antimicrobial efficacy of synthesized pristine and doped AlO with molecular docking analysis. AlO has potent mechanical, thermal, antimicrobial, phosphoric, optical, and electrical properties, but it leaches into water and has a high band gap and low refractive index. g-CN was incorporated into AlO to increase the degradation potency. The incorporation of Mg enhances the metal oxide characteristics and performance in catalysis. XRD patterns revealed the orthorhombic phase of AlO. The SAED pattern of AlO and (2 and 4 wt %) Mg/g-CN-AlO nanostructures (NSs) showed bright polycrystalline rings. UV-visible spectra showed the absorption of AlO at 289 nm, and upon doping, a blue shift was accompanied. The EDS spectra indicated the existence of Al, O, Na, and Mg, thereby verifying the elemental composition of the pristine and doped samples. TEM images revealed the nanowires (NWs) of AlO. The NSs demonstrated outstanding catalytic performance for the remediation of RhB dye in a basic medium of around 97.36%. Mg/g-CN-AlO (4 wt %) exhibited a notable augmentation in the inhibition zone, measuring 5.25 mm, when exposed to high-level doses against . In silico predictions have recently shed light on the underlying mystery of the bactericidal actions of these doped NSs against specific enzyme targets such as DNA gyrase.