Extracellular enzyme mediated biotransformation of imidacloprid by white-rot fungus Phanerochaete chrysosporium: Mechanisms, pathways, and toxicity

•P. chrysosporium could tolerate IMI and transform 93.5% for 6 days.•Manganese and lignin peroxidase played important roles in IMI transformation.•IMI mainly underwent nitrate-reduction, hydroxylation, and de-chlorination process.•MD results explained the reactive sites and metabolic mechanisms of enzymes.•6-chloronicotinic acid, a less neurologically toxic major metabolite, was detected.