Anomalous catalytic and antibacterial activity confirmed by molecular docking analysis of silver and polyacrylic acid doped CeO2 nanostructures

Abstract

This research presents the novel synthesis of CeO₂ nanostructures (NSs) doped with a fixed amount of capping agent (polyacrylic acid-PAA) and different concentrations (0.01 and 0.03) of silver (Ag). This work aimed to examine the catalytic and antibacterial efficacy with evidential molecular docking analysis of Ag/PAA doped CeO₂. Systematic characterization was used to analyze the effect of Ag and a capping agent on crystal structure, morphology, absorbance wavelength, and the exciton recombination rate of CeO₂. The silver metal and capping agent (PAA) were added into CeO₂ to reduce the size of NSs, enhancing the catalytic efficacy. These binary dopants (Ag–PAA) based CeO₂ revealed remarkable results for catalytic de-colorization of rhodamine B dye and antimicrobial potential as the dopants provide more active sites. Notably, (0.03) Ag/PAA doped CeO₂ NSs exhibited a substantial catalytic reduction (98.9%) of rhodamine B dye in an acidic medium. The higher doped CeO₂ revealed a significant inhibition zone (3.75 mm) against Escherichia coli at maximal concentration. Furthermore, in silico docking showed the possible inhibitory impact of produced nanomaterials on the fatty acid biosynthesis enzymes FabI and FabH.