iORandLigandDB: A Website for Three-Dimensional Structure Prediction of Insect Odorant Receptors and Docking with Odorants

SIMPLE SUMMARY: Smell is an important sense for insects. The olfactory sense of insects is involved in their feeding, mating, egg-laying, predation avoidance, and communication behaviors. The use of insect-specific odorants to control insect behavior is an important control method. Here, we built iORandLigandDB, a platform for the batch prediction of insect-specific odorants based on artificial intelligence technology. The 3D structure of existing ORs in insects and the docking data with relevant odorants can be retrieved from the database. ABSTRACT: The use of insect-specific odorants to control the behavior of insects has always been a hot spot in research on “green” control strategies of insects. However, it is generally time-consuming and laborious to explore insect-specific odorants with traditional reverse chemical ecology methods. Here, an insect odorant receptor (OR) and ligand database website (iORandLigandDB) was developed for the specific exploration of insect-specific odorants by using deep learning algorithms. The website provides a range of specific odorants before molecular biology experiments as well as the properties of ORs in closely related insects. At present, the existing three-dimensional structures of ORs in insects and the docking data with related odorants can be retrieved from the database and further analyzed.