Molecular Docking of Detoxification Enzymes from Oides leucomelaena with Volatiles of Star Anise

利用分子对接方法研究白花蛇舌草(Oides leucomelaena)解毒酶与八角茴香挥发物的相互作用。

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Abstract

Star anise, an economically and medicinally important crop, is highly susceptible to infestation by Oides leucomelaena Weise, leading to significant yield losses. This study employed transcriptome sequencing and bioinformatic analysis to systematically identify detoxification genes (CYP, GST, and CarE) in O. leucomelaena and evaluated their binding potential with star anise volatiles via molecular docking. A total of 64 CYP, 21 GST, and 44 CarE genes were identified, with several genes showing high expression across multiple tissues. Molecular docking revealed strong binding affinity between seven CYP proteins and star anise volatiles, notably the antennae-specific CYP, which exhibited robust binding with multiple volatiles. Detoxification genes in O. leucomelaena may mediate host adaptation by metabolizing star anise volatiles, providing potential targets for eco-friendly pest control.

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