Biosynthesis of Zinc Oxide Nanostructures Using Leaf Extract of Azadirachta indica: Characterizations and In Silico and Nematicidal Potentials

Biosynthesized ZnO nanostructures were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), ultraviolet–visible (UV-vis) spectroscopy, and Fourier transform–infrared (FT-IR) spectroscopy. XRD confirmed a hexagonal wurtzite phase with an average crystallite size of 36.44 nm, while UV-vis spectroscopy showed a distinct absorption peak at 321 nm. The Zeta potential of the ZnO nanostructures was −24.28 mV, indicating high stability in suspension, which is essential for their dispersion and functionality in biological and environmental applications. The nematicidal activity of ZnO was evaluated in vitro at concentrations of 150, 300, 450, and 600 ppm, with the highest concentration achieving 75.71% mortality of second-stage juveniles (J2s) after 72 h. The calculated LC50 values for the treatments were 270.33 ppm at 72 h. Additionally, molecular docking studies indicated significant interactions between the ZnO nanostructures and nematode proteins, HSP-90 and ODR1, supporting their potential nematicidal mechanism. This research highlights the effectiveness of neem leaf extract-mediated ZnO nanostructures as an eco-friendly, sustainable alternative for nematode control, presenting a promising solution for agricultural pest management.