Molecular Docking, Antibacterial Activity, and Antioxidant System Augmentation of Jatropha curcas Aqueous Leaf Extract on Arsenic-induced Oxidative Stress in Drosophila melanogaster

Introduction: Reactive oxygen species (ROS)-mediated oxidative damage in arsenic pathogenesis disrupts redox balance, impairs free radical neutralization, and affects bacterial metabolism, leading to cell death. This study investigated the antibacterial activity and antioxidant system augmentation of Jatropha curcas aqueous leaf extract (JCALE) in-silico, and on arsenic-induced oxidative- stressed D. melanogaster. Methods: The bioactive components of JCALE obtained from the gas chromatography-mass spectroscopy (GCMS) technique were used for molecular docking in PyRx and Biovia Discovery Studio 2021. Sodium-arsenite (SA) toxicity (0.0625 mM) was induced in D. melanogaster and treated with JCALE (0.4 and 0.8 g/10g diet) for 7 days. Thereafter, the ameliorative role of JCALE in SAinduced toxicity was evaluated using oxidative stress (hydrogen peroxide and lipid peroxidation), antioxidant (catalase and glutathione-s-transferase), and hepatic enzymes (alanine and aspartate transaminases) biomarkers, and the antibacterial activity by agar diffusion method. Results: The results of this study showed potent inhibition of Proteus mirabilis (20 mm), Salmonella typhi (20 mm), Pseudomonas aeruginosa (19 mm), and Escherichia coli (16 mm) by JCALE. However, Staphylococcus aureus showed resistance. Treatment of the arsenic induced flies with the concentrations of JCALE significantly increased (p<0.05) catalase and glutathione-s-transferase activities but reduced (p<0.05) both alanine and aspartate transaminases activities and the levels of hydrogen peroxide generation and lipid peroxidation. Additionally, out of the seven drugs predicted in this study, decane-3,7-dimethyl- showed the best binding energy with the selected target proteins. Discussion: The results indicate that the extract significantly improved key biochemical parameters, suggesting its potential therapeutic effect. These findings support its biological activity, though further studies are needed to confirm its mechanisms and long-term safety. Conclusion: In conclusion, JCALE showed antibacterial activity, prevented oxidative stress, and augmented the antioxidant system of D. melanogaster, possibly due to its richly embedded secondary metabolites.