Effects of quercetin and sabinene on antioxidant and detoxification enzymes of model pest Drosophila melanogaster (Diptera: Drosophilidae): Molecular docking investigation

Agricultural pest insects, particularly those within the Lepidoptera and Diptera orders, are responsible for significant crop damage, leading to economic losses. As chemical insecticides become increasingly prevalent, concerns over their detrimental impact on non-target species and the environment grow, emphasizing the need for less toxic alternatives. This study investigates the molecular interactions of quercetin and sabinene - two naturally occurring compounds - with key antioxidant and detoxification enzymes in Drosophila melanogaster, a model organism in biological research. In this study, the binding affinities of quercetin and sabinene with enzymes such as cytochrome P450 (CYP450), glutathione S-transferase (GST), superoxide dismutase (SOD), catalase (CAT) and glutamate-cysteine ligase (GCL) were evaluated using molecular docking techniques. The results revealed that quercetin exhibits stronger interactions with all enzymes compared to sabinene, with the highest binding energy observed between quercetin and CAT (-10.7 kcal/mol). These findings suggest that quercetin significantly affects the antioxidant and detoxification systems of D. melanogaster, potentially enhancing oxidative stress. Sabinene demonstrated weaker binding across all enzymes, indicating a lesser impact. The study contributes valuable insights into the potential of quercetin and sabinene as agents in pest control strategies by targeting insect biochemical pathways.