Abstract
Substituted-phenoxycarbonylimino neonicotinoid ligands with an electron-donating group showed significantly higher affinity to the insect nicotinic receptor relative to that of the analogue with an electron-withdrawing substituent, thereby establishing in silico binding site interaction model featuring that the phenoxy ring of neonicotinoids and the receptor loop D tryptophan indole plane form a face-to-edge aromatic interaction.
Copyright © 2010 Elsevier Ltd. All rights reserved.
MeSH terms
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Animals
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Binding Sites
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Computer Simulation
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Imidazoles / chemistry*
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Insect Proteins / chemistry*
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Insect Proteins / metabolism
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Insecta
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Insecticides / chemical synthesis
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Insecticides / chemistry
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Ligands
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Neonicotinoids
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Nitro Compounds / chemistry*
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Pyridines / chemistry
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Receptors, Nicotinic / chemistry*
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Receptors, Nicotinic / metabolism
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Structure-Activity Relationship
Substances
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Imidazoles
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Insect Proteins
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Insecticides
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Ligands
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Neonicotinoids
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Nitro Compounds
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Pyridines
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Receptors, Nicotinic
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imidacloprid
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pyridine