Improved catalytic and bactericidal behavior with in silico molecular docking analysis of barium/chitosan doped tungstate oxide nanoplates
Ehtisham Umar, Muhammad Ikram, Ali Haider, Anum Shahzadi, Anwar Ul‐Hamid
Abstract
In this paper, hydrothermally prepared doping-dependent (barium-Ba and chitosan-CS) properties of WO 3 nanocomposite were examined. Various concentrations of Ba (3, 6, and 9 wt.%) were systematically added into the binary system (CS-WO 3 ) nanocomposite. Numerous intrinsic disadvantages of nanoplates as lower surface-to-volume ratio and rapid recombination rate significantly reduced the WO 3 activities. To address these issues, Ba/CS was introduced as a dopant ; CS encapsulates the WO 3 , which controls particle size and rapidly overcomes the recombination rate issues, resulting in improved catalytic and antimicrobial activity . The catalytic activity of WO 3 and doped WO 3 degraded the MB dye by 99.9% in the presence of a reducing agent (NaBH 4 ) in acidic and neutral media. The zone of inhibition was determined (using a Vernier Caliper) against Escherichia coli ( E. coli ) pathogens at low and high dosages to test antimicrobial activity of synthesized nanostructures . These Ba/CS-doped WO 3 nanoparticles have been proposed as putative inhibitors of the DNA gyrase and reeducate of the protein enoyl-acyl carrier (FabI) of E. coli by in silico docking investigation.