Chemical toxins pose a great threat to honey bee health because they affect memory and cognition, diminish immunity, and increase susceptibility to infection, resulting in decreased colony performance, reproduction, and survival. Although the behavioral effects of sub-lethal chemical exposure on honey bees have been intensively studied, how xenobiotics affect olfaction, at the molecular level, still needs to be elucidated. In the present work, in silico tools, such as molecular docking, binding free energy calculations, and molecular dynamics simulations are used to predict if environmental chemicals have stronger binding affinities to honey bee antennal odorant-binding protein 14 (OBP14) than the representative floral odors citralva, eugenol, and the fluorescent probe 1-N-phenylnaphthylamine. Based on structural analysis, 21 chemicals from crop pesticides, household appliances, cosmetics, food, public health-related products, and other sources, many of which are pervasive in the hive environment, have higher binding affinities than the floral odors. These results suggest that chemical exposures are likely to interfere with the honey bee's sense of smell and this disruptive mechanism may be responsible for the lower associative learning and memory based on olfaction found in bees exposed to pesticides. Moreover, bees mainly rely on olfactory cues to perceive their environment and orient themselves as well as to discriminate and identify their food, predators, nestmates, and diseased individuals that need to be removed with hygienic behavior. In summary, sub-lethal exposure to environmental toxins can contribute to colony collapse in several ways from the disruption of proper olfaction functioning.binding free energy calculation, chemical toxin, honey bee, molecular docking, molecular dynamics, odorant binding protein, olfaction, pesticide
| INTRODUCTIONRecently, honey bee health is in decline on a global scale and three main stressors have emerged as the potential cause of the decline, which include the loss of foraging habitat, diseases, and exposure to sub-lethal levels of pesticides. 1 The ever-increasing use of pesticides in not only the agricultural landscape but also in urban and suburban areas has led to the honey bee being exposed to a wide array of them, regularly, at sub-lethal concentrations. 2,3 Not all bee pesticide toxicity is known to behave in a dose-dependent manner resulting in low doses having a surprisingly damaging effect on bee health. 4 These sub-lethal exposures are known to have a number of negative effects on honey bees such as increased susceptibility to infection, 5 higher mortality when combined with an infection, 6 disruption of metabolic pathways, 7 homing and navigational deficiencies, 8 lower fertility and reproductive output, 9,10 and a loss of associative learning and memory based on both olfactory and visual cues. 11,12