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References from Discovery of Novel Meta-Diamide Derivatives with Improved Safety as GABA Receptor-Targeted Insecticides by the Scaffold-Hopping Strategy and 3D-QSAR Models. Local targets link to admitted publications; unresolved targets remain external evidence.
Plant disease: A growing threat to global food security
10.3390/agronomy14081615 · 2024 · External reference
The global burden of pathogens and pests on major food crops
10.1038/s41559-018-0793-y · 2019 · External reference
Insecticide resistance, the uninvited driver for change: impacts on insecticide discovery
10.1002/ps.70552 · 2026 · External reference
Pesticides have negative effects on non-target organisms
10.1038/s41467-025-56732-x · 2025 · External reference
A comparison of the modes of action of novel meta-diamide insecticides and conventional noncompetitive antagonists on the Spodoptera litura RDL GABA receptor
10.1584/jpestics.d13-024 · 2013 · External reference
Broflanilide: A meta-diamide insecticide with a novel mode of action
10.1016/j.bmc.2015.08.008 · 2016 · External reference
Acute toxicity, bioconcentration, elimination, action mode and detoxification metabolism of broflanilide in zebrafish, Danio rerio
10.1016/j.jhazmat.2020.122521 · 2020 · External reference
Toxic effects of broflanilide exposure on development of zebrafish (Danio rerio) embryos and its potential cardiotoxicity mechanism
10.1016/j.envpol.2021.117481 · 2021 · External reference
Aute toxicity of broflanilide on neurosecretory system and locomotory behavior of zebrafish (Danio rerio)
10.1016/j.chemosphere.2022.135426 · 2022 · External reference
Chronic toxicity of broflanilide in Daphnia magna: changes in molting, behavior, and gene expression
10.1007/s11356-023-26255-3 · 2023 · External reference
Neural system impairment and involved microglia-neuron regulation of broflanilide in zebrafish larvae
10.1021/acs.est.3c03626 · 2023 · External reference
The novel insecticide broflanilide dysregulates transcriptional networks associated with ion channels and induces hyperactivity in zebrafish (Danio rerio) larvae
10.1016/j.scitotenv.2023.167072 · 2023 · External reference
Risk assessment of broflanilide for human and non-target terrestrial organisms in cauliflower production
10.1016/j.envres.2024.118327 · 2024 · External reference
Broflanilidde induces zebrafish neurobehavioral defects by interfering with synaptic homeostasis
10.1016/j.aquatox.2025.107355 · 2025 · External reference
Understanding the aquatic toxicity of pesticide: structure-activity relationship and molecular descriptors to distinguish the ratings of toxicity
10.1002/qsar.200960050 · 2009 · External reference
Unveiling chemical space, scaffold diversity, critical structural features of pesticides: a comprehensive QSAR, qRASAR, machine learning studies to predict pesticides toxicity
10.1016/j.scitotenv.2025.180489 · 2025 · External reference
Abiotic sulfhydryl reactivity: a predictor of aquatic toxicity for carbonyl-containing a,β-unsaturated compounds
10.1021/tx600344a · 2007 · External reference
Current developments of computer-aided drug design
10.1016/j.jtice.2010.03.017 · 2010 · External reference
3D-QSAR in drug design – A review
10.2174/156802610790232260 · 2010 · External reference
Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
10.1021/jm00050a010 · 1994 · External reference
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
10.1021/ja00226a005 · 1988 · External reference
3D-QSAR studies of insecticidal anthranilic diamides as ryanodine receptor activators using CoMFA, CoMSIA and DISCOtech
10.1016/j.chemosphere.2009.10.038 · 2010 · External reference
Bioactive conformation analysis of anthranilic diamide insecticides: DFT-based potential energy surface scanning and 3D-QSAR investigations
10.1016/j.cclet.2015.04.010 · 2015 · External reference
Synthesis, insecticidal evaluation and 3D-QSAR study of novel anthranilic diamide derivatives as potential ryanodine receptor modulators
10.1002/ps.5213 · 2019 · External reference
Synthesis, insecticidal evaluation, and 3D-QSAR of novel anthranilic diamide derivatives containing N-arylpyrrole as potential ryanodine receptor activators
10.1021/acs.jafc.0c04157 · 2020 · External reference
A novel bee-friendly peptidomimetic insecticide: synthesis, aphicidal activity and 3D-QSAR study of insect kinin analogs at Phe2 modification
10.1002/ps.6920 · 2022 · External reference
Identification of isoxazoline compounds as potential insecticidal agents through high-throughput screening and 3D-QSAR analysis
10.1021/acs.jafc.5c05477 · 2025 · External reference
Discovery of broflanilide, a novel insecticide
10.1584/jpestics.d18-088 · 2019 · External reference
Development of an efficient synthetic process for broflanilide
10.1021/acs.oprd.0c00028 · 2020 · External reference
Design, synthesis, acaricidal/insecticidal activity, and structure–activity relationship studies of novel oxazolines containing sulfone/sulfoxide groups based on the sulfonylurea receptor protein-binding site
10.1021/acs.jafc.6b00645 · 2016 · External reference
Additive effects on the improvement of insecticidal activity: design, synthesis, and insecticidal activity of novel pymetrozine derivatives
10.1016/j.bmc.2015.08.017 · 2016 · External reference
Design, synthesis, and insecticidal and fungicidal activities of ether/oxime-ether containing isoxazoline derivatives
10.1021/acs.jafc.2c08161 · 2023 · External reference
Design, synthesis, and biological activities of novel coumarin derivatives as pesticide candidates
10.1021/acs.jafc.3c08161 · 2024 · External reference
Discovery of novel isoxazoline derivatives containing pyrazolamide fragment as insecticidal candidates
10.1021/acs.jafc.4c13106 · 2025 · External reference
Rational design of insecticidal isoxazolines containing sulfonamide or sulfinamide structure as antagonists of GABA receptors with reduced toxicities to honeybee and zebrafish
10.1021/acs.jafc.3c03459 · 2023 · External reference
Unresolved reference
External reference
Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z = 11–18
10.1063/1.438980 · 1980 · External reference
Multiwfn: A multifunctional wavefunction analyzer
10.1002/jcc.22885 · 2012 · External reference
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
10.1063/5.0216272 · 2024 · External reference
Exploring the interaction mechanism of desmethyl-broflanilide in insect GABA receptors and screening potential antagonists by in silico simulations
10.1021/acs.jafc.0c05728 · 2020 · External reference
Objectively judging the quality of a protein structure from a Ramachandran plot
10.1093/bioinformatics/13.4.425 · 1997 · External reference
MolProbity: all-atom structure validation for macromolecular crystallography
10.1107/s0907444909042073 · 2010 · External reference
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
10.1002/jcc.21334 · 2010 · External reference
Quantum-chemical descriptors in QSAR/QSPR studies
10.1021/cr950202r · 1996 · External reference
Design, synthesis, and pesticidal activities of pyrimidin-4-amine derivatives bearing a 5-(trifluoromethyl)-1,2,4-oxadiazole moiety
10.1021/acs.jafc.1c00236 · 2021 · External reference
Rational design and synthesis of isoxazoline derivatives with low bee-toxicity based on bee GABA receptors
10.1021/acs.jafc.4c08476 · 2025 · External reference
Design, synthesis, and insecticidal activity of novel meta-diamide compounds bearing a phthalimide as a potential GABA receptor antagonist
10.1021/acs.jafc.4c05418 · 2024 · External reference
Empirical and accurate method for the three-dimensional electrostatic potential (EM-ESP) of biomolecules
10.1021/jp910690z · 2010 · External reference
The electrostatic potential: An overview
10.1002/wcms.19 · 2011 · External reference
Meta-diamide insecticides acting on distinct sites of RDL GABA receptor from those for conventional noncompetitive antagonists
10.1016/j.ibmb.2013.02.002 · 2013 · External reference
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
10.1002/jcc.21334 · ExternalCitation · doi-reference
Multiwfn: A multifunctional wavefunction analyzer
10.1002/jcc.22885 · ExternalCitation · doi-reference
Synthesis, insecticidal evaluation and 3D-QSAR study of novel anthranilic diamide derivatives as potential ryanodine receptor modulators
10.1002/ps.5213 · ExternalCitation · doi-reference
A novel bee-friendly peptidomimetic insecticide: synthesis, aphicidal activity and 3D-QSAR study of insect kinin analogs at Phe2 modification
10.1002/ps.6920 · ExternalCitation · doi-reference
Insecticide resistance, the uninvited driver for change: impacts on insecticide discovery
10.1002/ps.70552 · ExternalCitation · doi-reference
Understanding the aquatic toxicity of pesticide: structure-activity relationship and molecular descriptors to distinguish the ratings of toxicity
10.1002/qsar.200960050 · ExternalCitation · doi-reference
The electrostatic potential: An overview
10.1002/wcms.19 · ExternalCitation · doi-reference
Chronic toxicity of broflanilide in Daphnia magna: changes in molting, behavior, and gene expression
10.1007/s11356-023-26255-3 · ExternalCitation · doi-reference
Broflanilidde induces zebrafish neurobehavioral defects by interfering with synaptic homeostasis
10.1016/j.aquatox.2025.107355 · ExternalCitation · doi-reference
Broflanilide: A meta-diamide insecticide with a novel mode of action
10.1016/j.bmc.2015.08.008 · ExternalCitation · doi-reference
Additive effects on the improvement of insecticidal activity: design, synthesis, and insecticidal activity of novel pymetrozine derivatives
10.1016/j.bmc.2015.08.017 · ExternalCitation · doi-reference
Bioactive conformation analysis of anthranilic diamide insecticides: DFT-based potential energy surface scanning and 3D-QSAR investigations
10.1016/j.cclet.2015.04.010 · ExternalCitation · doi-reference
3D-QSAR studies of insecticidal anthranilic diamides as ryanodine receptor activators using CoMFA, CoMSIA and DISCOtech
10.1016/j.chemosphere.2009.10.038 · ExternalCitation · doi-reference
Aute toxicity of broflanilide on neurosecretory system and locomotory behavior of zebrafish (Danio rerio)
10.1016/j.chemosphere.2022.135426 · ExternalCitation · doi-reference
Toxic effects of broflanilide exposure on development of zebrafish (Danio rerio) embryos and its potential cardiotoxicity mechanism
10.1016/j.envpol.2021.117481 · ExternalCitation · doi-reference
Risk assessment of broflanilide for human and non-target terrestrial organisms in cauliflower production
10.1016/j.envres.2024.118327 · ExternalCitation · doi-reference
Meta-diamide insecticides acting on distinct sites of RDL GABA receptor from those for conventional noncompetitive antagonists
10.1016/j.ibmb.2013.02.002 · ExternalCitation · doi-reference
Acute toxicity, bioconcentration, elimination, action mode and detoxification metabolism of broflanilide in zebrafish, Danio rerio
10.1016/j.jhazmat.2020.122521 · ExternalCitation · doi-reference
Current developments of computer-aided drug design
10.1016/j.jtice.2010.03.017 · ExternalCitation · doi-reference
The novel insecticide broflanilide dysregulates transcriptional networks associated with ion channels and induces hyperactivity in zebrafish (Danio rerio) larvae
10.1016/j.scitotenv.2023.167072 · ExternalCitation · doi-reference
Unveiling chemical space, scaffold diversity, critical structural features of pesticides: a comprehensive QSAR, qRASAR, machine learning studies to predict pesticides toxicity
10.1016/j.scitotenv.2025.180489 · ExternalCitation · doi-reference
Neural system impairment and involved microglia-neuron regulation of broflanilide in zebrafish larvae
10.1021/acs.est.3c03626 · ExternalCitation · doi-reference
Synthesis, insecticidal evaluation, and 3D-QSAR of novel anthranilic diamide derivatives containing N-arylpyrrole as potential ryanodine receptor activators
10.1021/acs.jafc.0c04157 · ExternalCitation · doi-reference
Exploring the interaction mechanism of desmethyl-broflanilide in insect GABA receptors and screening potential antagonists by in silico simulations
10.1021/acs.jafc.0c05728 · ExternalCitation · doi-reference
Design, synthesis, and pesticidal activities of pyrimidin-4-amine derivatives bearing a 5-(trifluoromethyl)-1,2,4-oxadiazole moiety
10.1021/acs.jafc.1c00236 · ExternalCitation · doi-reference
Design, synthesis, and insecticidal and fungicidal activities of ether/oxime-ether containing isoxazoline derivatives
10.1021/acs.jafc.2c08161 · ExternalCitation · doi-reference
Rational design of insecticidal isoxazolines containing sulfonamide or sulfinamide structure as antagonists of GABA receptors with reduced toxicities to honeybee and zebrafish
10.1021/acs.jafc.3c03459 · ExternalCitation · doi-reference
Design, synthesis, and biological activities of novel coumarin derivatives as pesticide candidates
10.1021/acs.jafc.3c08161 · ExternalCitation · doi-reference
Design, synthesis, and insecticidal activity of novel meta-diamide compounds bearing a phthalimide as a potential GABA receptor antagonist
10.1021/acs.jafc.4c05418 · ExternalCitation · doi-reference
Rational design and synthesis of isoxazoline derivatives with low bee-toxicity based on bee GABA receptors
10.1021/acs.jafc.4c08476 · ExternalCitation · doi-reference
Discovery of novel isoxazoline derivatives containing pyrazolamide fragment as insecticidal candidates
10.1021/acs.jafc.4c13106 · ExternalCitation · doi-reference
Identification of isoxazoline compounds as potential insecticidal agents through high-throughput screening and 3D-QSAR analysis
10.1021/acs.jafc.5c05477 · ExternalCitation · doi-reference
Design, synthesis, acaricidal/insecticidal activity, and structure–activity relationship studies of novel oxazolines containing sulfone/sulfoxide groups based on the sulfonylurea receptor protein-binding site
10.1021/acs.jafc.6b00645 · ExternalCitation · doi-reference
Development of an efficient synthetic process for broflanilide
10.1021/acs.oprd.0c00028 · ExternalCitation · doi-reference
Quantum-chemical descriptors in QSAR/QSPR studies
10.1021/cr950202r · ExternalCitation · doi-reference
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
10.1021/ja00226a005 · ExternalCitation · doi-reference
Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
10.1021/jm00050a010 · ExternalCitation · doi-reference
Empirical and accurate method for the three-dimensional electrostatic potential (EM-ESP) of biomolecules
10.1021/jp910690z · ExternalCitation · doi-reference
Abiotic sulfhydryl reactivity: a predictor of aquatic toxicity for carbonyl-containing a,β-unsaturated compounds
10.1021/tx600344a · ExternalCitation · doi-reference
Pesticides have negative effects on non-target organisms
10.1038/s41467-025-56732-x · ExternalCitation · doi-reference
The global burden of pathogens and pests on major food crops
10.1038/s41559-018-0793-y · ExternalCitation · doi-reference
Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z = 11–18
10.1063/1.438980 · ExternalCitation · doi-reference
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
10.1063/5.0216272 · ExternalCitation · doi-reference
Objectively judging the quality of a protein structure from a Ramachandran plot
10.1093/bioinformatics/13.4.425 · ExternalCitation · doi-reference
MolProbity: all-atom structure validation for macromolecular crystallography
10.1107/s0907444909042073 · ExternalCitation · doi-reference
A comparison of the modes of action of novel meta-diamide insecticides and conventional noncompetitive antagonists on the Spodoptera litura RDL GABA receptor
10.1584/jpestics.d13-024 · ExternalCitation · doi-reference
Discovery of broflanilide, a novel insecticide
10.1584/jpestics.d18-088 · ExternalCitation · doi-reference
3D-QSAR in drug design – A review
10.2174/156802610790232260 · ExternalCitation · doi-reference
Plant disease: A growing threat to global food security
10.3390/agronomy14081615 · ExternalCitation · doi-reference
