Outstanding Performance of Mg/g‑C3N4‑Doped Al2O3 Serving as a Nanocatalyst and Its Bactericidal Behavior: An In Silico Molecular Docking Study

• Published in: ACS omega 2024-01, Vol.9 (1), p.1603-1613
• Main Authors: Ikram, Muhammad, Shahzadi, Anum, Haider, Ali, Zain Ul-Abidin, Muhammad, Ul-Hamid, Anwar, Yousaf, Syeda Amber, Al-Anazy, Murefah mana, Yousef, El Sayed
• Format: Article
• Language: English
• ISSN: 2470-1343; 2470-1343
• DOI: 10.1021/acsomega.3c08077

A coprecipitation approach was employed to synthesize aluminum oxide (Al2O3) with a fixed quantity of graphitic carbon nitride (g-C3N4) 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 Al2O3 with molecular docking analysis. Al2O3 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-C3N4 was incorporated into Al2O3 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 Al2O3. The SAED pattern of Al2O3 and (2 and 4 wt %) Mg/g-C3N4–Al2O3 nanostructures (NSs) showed bright polycrystalline rings. UV–visible spectra showed the absorption of Al2O3 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 Al2O3. The NSs demonstrated outstanding catalytic performance for the remediation of RhB dye in a basic medium of around 97.36%. Mg/g-C3N4–Al2O3 (4 wt %) exhibited a notable augmentation in the inhibition zone, measuring 5.25 mm, when exposed to high-level doses against Staphylococcus aureus. 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 gyraseS. aureus.