In silico assessment of the impact of pesticides commonly used in fruit orchards on Apis mellifera (Linnaeus, 1758) (Hymenoptera: Apidae): implications for pollinator health

Linnaeus, 1758) (Hymenoptera: Apidae), play a vital role in fruit crop production, yet their populations are increasingly threatened by pesticide exposure. This study aimed to evaluate the potential toxicological effects of commonly used pesticides in Algerian fruit orchards on honey bees through in silico predictive approaches. Eight active substances were selected based on their frequent application, and toxicity was predicted using tools such as Protox III, focusing on endpoints including neurotoxicity, mitochondrial dysfunction, ecotoxicity, and detoxification pathway activation. Molecular docking analyses revealed variable binding affinities between pesticides and key bee proteins, highlighting strong interactions of insecticides such as azoxystrobin, abamectin, and lambda-cyhalothrin with neurotoxic targets like the nicotinic acetylcholine receptor (nAChR) and acetylcholinesterase (AChE). Additionally, fungicides including fludioxonil and difenoconazole exhibited high affinities for detoxification-related enzymes, such as glutathione S-transferase and superoxide dismutase, suggesting potential interference with cellular defense mechanisms. These multi-target interactions indicate complex modes of toxic action that may amplify sublethal effects on bee health. The findings underscore the urgent need to integrate pollinator safety considerations into pest management strategies to preserve bee populations and ensure sustainable fruit production.