Antimicrobial activity of biogenic-synthesized novel bimetallic nanospinel LiCu-ferrite particles: Experimental and computational studies

Abstract

An aqueous carob leaf extract was employed in the current study as a biogenic agent (reducing and capping agents) for the synthesis of novel bimetallic lithium and copper-based nanospinel ferrites (LiCu-F) with anti-bacterial activity. LiCu-F has a considerable number of surface-OH groups, a BET-specific surface area of 72.5 m2/g, a mean particle size of 59.8 nm, and a crystallinity index of 78.9%, according to the results of the physicochemical characterisation of the ferrite. Within the first 60 min, LiCu-F showed bacteriostatic and bactericidal effects on S. aureus and E. coli based on the time-kill assay. 0.4 mg of LiCu-F demonstrated 67.9% bacteriostatic effects on E. coli while exhibiting 100% inactivation of S. aureus strains, demonstrating that the gram-positive bacteria are more susceptible to LiCu-F. The computational molecular docking analysis demon-strated that LiCu-F has a higher binding affinity for S. aureus (-38.89 kcal/mol) than E. coli (-29.16 kcal/mol), which is consistent with the experimental findings. With an LD50 of 1000 mg per kg of body weight based on a computational prediction tool, LiCu-F is cytotoxic to bacteria and can cause DNA damage and cell death in bacterial strains.