Silver Decorated 2D Nanosheets of GO and MoS2 serve as Nanocatalyst for Water Treatment and Antimicrobial Applications as ascertained with Molecular Docking Evaluation.

Two-dimensional (2D) nanosheets doped with silver nanoparticles (AgNPs) have found significant antibacterial applications in industry. In this work, synthesis of graphene oxide (GO) and reduced graphene oxide (rGO) was realized through a modified Hummers route. Different concentrations (5 & 10 wt.%) of Ag were doped in MoS2 and rGO using a hydrothermal approach. Synthesized Ag-MoS2 and Ag-rGO were evaluated through XRD that confirmed the hexagonal structure of MoS2 along with the transformation of GO to Ag-rGO as indicated by a shift in XRD peaks. FTIR confirmed the presence of Mo-O bonding vibrations, and S=O functional groups present in the prepared samples. Morphological information of GO and formation of MoS2 nanopetals were verified through FESEM, while spherical morphology, interlayer spacing, and homogeneous distribution of AgNPs were scrutinized through HR-TEM. Raman analysis was employed to probe any evidence regarding defect densities of GO. Optical properties of GO, MoS2, Ag-rGO, and Ag-MoS2 were visualized through UV-Vis & PL spectroscopy. Prepared products were employed as nanocatalysts to purify industrial wastewater, while degradation of undoped and doped samples was inspected using UV-Vis spectroscopy. Experimental results revealed that the photocatalytic response of Ag-rGO and Ag-MoS2 enhanced upon doping. Besides, the nanocatalyst (Ag-MoS2 & Ag-rGO) exhibited an excellent antibacterial activity towards S. aureus gram positive (G+) and E. coli gram negative (G-). To rationalize biocidal mechanism of Ag-doped MoS2 NPs and Ag-rGO, in silico molecular docking study was employed for two enzymes (i.e. β-lactamase & ddlB) from cell wall biosynthetic pathway and FabI from fatty acid biosynthetic pathway belonging to S. aureus. The present study provides evidence for the development of cost-effective and environmental-friendly products that could receive favorable recommendation for use in industrial and biomedical applications.