Insights on Silver Nanoparticles as Potential Antibacterial, Antibiofilm, and Photocatalytic Candidate: Experimental and Computational Approaches

In this study, we prepared silver nanoparticles (AgNPs) using the chemical reduction method. The structure and uniformity of the prepared AgNPs were confirmed using different characterization techniques, including XRD, SEM, FTIR, UV–Vis spectroscopy, zeta potential, and DLS. The antibacterial and antibiofilm testing of the prepared AgNPs revealed excellent potential against Escherichia coli and Klebsiella pneumoniae (MIC = 37.5 and 18.75 μg/mL, respectively), Pseudomonas aeruginosa , and Candida albicans (percent of biofilm inhibition = 43% and 50%, respectively). Further, their mode of action was putatively elucidated by molecular dynamics simulations (MDS), which revealed that the desorbed Ag atoms could bind with and probably inhibit the bacterial GSH reductase, resulting in fatal increased oxidative stress inside the bacterial cell. To the best of our knowledge, this is the first comprehensive MDS work that uncovers the plausible mechanism of the bacterial GSH reductase inhibition by Ag atoms. Accordingly, we believe that the results presented herein will pave the way for additional research into metal–protein interactions, which will aid in the development of new metal‐based treatments. Furthermore, the photocatalytic behavior of the prepared AgNPs was examined against methylene blue dye, and the results revealed optimistic efficiency as the removal percent exceeded 97% within 40 min with pseudo‐first‐order reaction kinetics.