Efficient Samarium-Grafted-C3N4-Doped α-MoO3 Used as a Dye Degrader and Antibacterial Agent: In Silico Molecular Docking Study

Identifier:  imarina:9331192

Handle: https://hdl.handle.net/20.500.11797/imarina9331192

Authors:  Shabbir, Mohsin; Imran, Muhammad; Haider, Ali; Shahzadi, Iram; Ahmad, Wakeel; Ul-Hamid, Anwar; Nabgan, Walid; Shahzadi, Anum; Al-Shanini, Ali; Al-Anazy, Murefah Mana; Adam, Mohamed; Ikram, Muhammad

Abstract:
This study was used to evaluate the catalytic activity (CA) and bactericidal activity of alpha-MoO3 and Sm-g-C3N4-doped alpha-MoO3 composites prepared through an efficient, cost-effective coprecipitation route. Their characteristic studies verify the formation of alpha-MoO3 and its composites (3, 6, and 9 mL Sm-g-C3N4-doped alpha-MoO3), which showed high crystallinity, as confirmed by X-ray diffraction (XRD) analysis. The production of superoxide and hydroxyl radicals due to charge transfer through alpha-MoO3 and g-C3N4 eventually forms electrons in g-C3N4 and holes around alpha-MoO3. 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.