Evaluation of anti-microbial activity and molecular docking of green synthesized copper oxide nanoparticle from aegle marmelos leaf extract

Researchers are becoming more interested in eco-friendly biogenesis of nanoparticles as a result of the development of green nanotechnology. In this study, stable copper oxide nanoparticles were biogenically-synthesized using Aegle marmelos leaf extract. We investigated the structural and antibacterial potential of green synthesized copper oxide nanoparticles (CuO NPs). The surface plasmonic resonance peak was observed at 389.5 nm using UV-vis spectroscopy. X-ray diffraction (XRD) pattern demonstrated the crystalline structure of CuO NPs. Scanning electron microscopy (SEM) revealed the morphology of CuO NPs. The purity of the prepared CuO NPs was confirmed by dispersive X-ray spectroscopy (EDS) spectrum and XRD. CuO NPs showed excellent antibacterial activity against the tested gram-negative bacteria, Escherichia coli and Shigella flexneri. The relationship between MIC and bactericidal activity of CuO NPs at various concentrations were studied using time-kill curves; a timedependent increase in the antibacterial activity was documented. This study reiterates the strong antimicrobial activity of CuO NPs, qualifying them as potential candidates in the therapy of infections including multi-drug resistant pathogens. Furthermore, complete plasmid DNA fragmentation was observed at higher concentration of green synthesized nanoparticles. In silico analysis was performed for the further confirmation. The binding and interaction of the active molecules of Aegle marmelos leaf, such as Beta-sitosterol, Gamma-sitosterol and Marmesinin against the BAM A transmembrane protein in gram negative bacteria was analyzed using Autodock vina, Accelrys BIOVIA and pyMol tools, showed the remarkable results. These compounds can be used as a drug candidate as based on Lipinski's rule of five violation. Aegle marmelos leaf extract can possibly be used in therapeutic sector in future. Further investigations are suggested for understanding its molecular mechanism of action.

Automated summary

This study successfully synthesized stable copper oxide nanoparticles using Aegle marmelos leaf extract and investigated their structural and antibacterial potential. The synthesized nanoparticles showed excellent antibacterial activity against Escherichia coli and Shigella flexneri, and complete plasmid DNA fragmentation was observed at higher concentration. Furthermore, in silico analysis confirmed the binding and interaction of active molecules in Aegle marmelos leaf extract with the BAM A transmembrane protein, suggesting their potential as drug candidates.