Advanced Agrochem · 2022 · 16 citations · 26 references
PharmacyEntomologyMedicinal ChemistryDrug DesignDrug DiscoveryStructure-activity RelationshipsInsecticide ToxicityLigand BindingMolecular Targets Of DrugsPlant-insect Chemical InteractionsBinding Mode OptimizationInsecticidal Activity AssaysInsecticidal Mode Of ActionInsecticide ChemistryMolecular Docking AnalysisMortality RatesRyanodine ReceptorsTarget Protein Structure
Substituting the benzene ring of flubendiamide by maleic diamide structures to adjust the conformation, a series of 24 novel compounds were designed and synthesized. All target molecular structures had been confirmed by satisfactory analytical and spectral data and evaluated the effects on major agricultural pests. According to the results of the insecticidal activity test, target compounds A2, B1, and B2 exhibited moderate mortality rates against Plutella xylostella at 200 mg · L−1. Finally, molecular docking revealed the possible binding mode of compound B2 with the target protein, ryanodine receptors.
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Recent Advances in Scaffold Hopping
Ye Hu, Dagmar Stumpfe, Jürgen Bajorath · Journal of Medicinal Chemistry · 2016 · 365 citations · Full text