Identification and molecular docking of odorant-degrading enzyme genes in Hylurgus ligniperda

Objective This paper aims to screen, classify, and analyze the tissue expression of odor degradation enzyme-related genes in Hylurgus ligniperda. The results of this study will provide a theoretical foundation for utilizing molecular biology techniques to effectively regulate the behavior of Hylurgus ligniperda.

Method  Key odor-degrading enzyme genes were screened from the whole-genome data of Dendroctonus longipennis. Phylogenetic analysis of the genes and tissue expression analysis of the adults were conducted. Homology modeling was used to predict the three-dimensional structure of the odor-degrading enzyme genes. After the rationality of the model structure was evaluated, molecular docking simulation was performed using Autodock1.5.7 software.

Result The analysis revealed a total of 65 potential odor degradation enzyme genes within the complete genome data of Hylurgus ligniperda. Among them, 11 were identified as glutathione S-transferase genes, 46 as cytochrome P450 genes, and 8 as esterase genes. The phylogenetic analysis displayed a relatively conserved nature of odor degradation enzyme genes in Hylurgus ligniperda. Furthermore, the gene expression distribution in adult beetle tissues indicated that odor degradation enzyme-related genes were predominantly expressed in the antennae, with higher levels of expression observed in the glutathione S-transferase and cytochrome P450 gene families. Notably, the molecular docking results demonstrated that the binding energies between the odor degradation enzymes of Hylurgus ligniperda and various odor molecules were consistently low and exhibited minimal differences, indicating a stable intermolecular interaction force.

Conclusion The significant expression of glutathione S-transferase and cytochrome P450 genes in antennae of Hylurgus ligniperda reinforces their vital role in odor degradation. Furthermore, the molecular docking results confirm the universal ability of odor degradation enzyme genes of Hylurgus ligniperda in breaking down odor molecules, with similar intermolecular binding modes observed.