Molecular Docking of Detoxification Enzymes from Oides leucomelaena with Volatiles of Star Anise.
- 2025-10-14
- Biology 14(10)
- Yingxue Yang
- Zhixiao Zhang
- Huifen Ma
- Lianrong Hu
- Kai Li
- Ning Zhao
- Ling Liu
- Jielong Zhou
- PubMed: 41154813
- DOI: 10.3390/biology14101411
Study Design
- Sample size
- n = 64
- Population
- Oides leucomelaena Weise
- Methods
- Transcriptome sequencing and bioinformatic analysis to identify detoxification genes (CYP, GST, CarE) and molecular docking of star anise volatiles with these proteins
- Funding
- Unclear
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.