Antifungal properties and molecular docking of ZnO NPs mediated using medicinal plant extracts

Abstract

Significant postharvest losses and food safety issues persist in many developing nations, primarily due to fungal activities, including mycotoxin production. In this study, green synthesised zinc oxide nanoparticles (ZnO-NPs) were prepared from leaf extracts of Syzygium cordatum (ZnO 1), Lippia javanica (ZnO 2), Bidens pilosa (ZnO 3), and Ximenia caffra (ZnO 4). Physicochemical characteristics of the ZnO-NPs were determined using X-ray diffraction (XRD), Fourier transmission Infrared spectroscopy and ultraviolet–visible (UV–vis) spectroscopy, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The XRD analysis confirmed the presence of a wurtzite crystal structure in the hexagonal shape of the ZnO nanoparticles (NPs), with an average size ranging between 25 and 43 nm. The microscopic examination of the morphology revealed the presence of spherical particles with sizes ranging from 37 to 47 nm in diameter. The antifungal efficacy of the ZnO-NPs was assessed against pathogenic plant fungi, including Botrytis sp. (STEU 7866), Penicillium sp. (STEU 7865), and Pilidiella granati (STEU 7864), using the poisoned food technique. Further antifungal evaluation of the ZnOPs was performed using the broth microdilution assay. A significant interaction between the type of ZnO-NPs and fungal species was observed, with the highest susceptibility in Mucor sp. to ZnO 2, achieving over 50% inhibition. Penicillium sp. also showed high susceptibility to all ZnO-NPs. Molecular docking results confirmed the strong H-bonding interactions of ZnO-NPs with fungal receptors in Mucor sp. and Penicillium sp., Botrytis sp. and P. granati exhibited the least susceptibility. Further tests revealed that ZnO 2 exhibited the highest inhibitory effect on Botrytis sp., with a low minimum inhibitory concentration (MIC) of 25 µg/mL, attributed to its larger positive zeta potential. This study indicates that ZnO NPs, particularly those mediated using Lippia javanica (ZnO 2), have promising potential as effective antifungal agents, which could play a significant role in reducing postharvest decay and losses.