Production, characterization and antibacterial activity of silver nanoparticles produced by Fusarium oxysporum and monitoring of protein-ligand interaction through in-silico approaches

Abstract

The present study envisages biological production of silver nanoparticles using Fusarium oxysporum and in-silico identification of the antibacterial activity of the nanoparticles using protein-ligand interaction studies. The morphology of the nanoparticles was variable, with majority of them spherical in the size range 1-50 nm. For in-silico studies, two microorganisms, Escherichia coli and Pseudomonas aeruginosa were selected and metal docking was carried out using the licensed software SYBYL X 1.1.1. The ligand docked deeply into the binding pockets of the outer membrane proteins (OMPs) of both E. coli and P. aeruginosa. The results showed that silver may prove to be a strong antibacterial agent against both the pathogens, with the antibacterial action of silver being greater in the case of P. aeruginosa. The results obtained through in-silico studies were further validated by in-vitro approaches on both solid and liquid media to confirm the results obtained by in-silico analysis. The corroboration of in-silico and in-vitro results amply demonstrates the immense antibacterial potential of silver nanoparticles against the selected pathogens.

Keywords: Antibacterial effect; Docking; Flex X; Silver nanoparticles; TEM; Zetasizer.