Prediction and confirmation of active ingredients in Eucalyptus globulus Labill leaves

Screening of active ingredients in plants is critical for the development of medicinal plants. As a traditional medicinal material, Eucalyptus globulus Labill leaves are regarded as a potential raw material that can be developed as a pesticide because of its original activity. This study proposes a molecular docking assisted UPLC-MS/MS, GC–MS/MS method for the identification and prediction of insecticidal ingredients in the extracts of Eucalyptus globulus leaves. The extracts of Eucalyptus globulus leaves were analyzed by UPLC-MS/MS, GC–MS/MS, 34 aqueous ingredients and 35 volatile ingredients were identified. The identified ingredients were docked with repellent receptor (2KSL). The results showed that protocatechuic acid had strong 2KSL inhibitory activity, which was presumed to be the main reason for the inhibition of 2KSL. Finally, the antifeedant experiment of protocatechuic acid on Henosepilachna vigintioctopunctata (Fabricius) was carried out. The results indicate that the method can effectively screen the active ingredients from the medicinal plants.