Journal
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
Volume 21, Issue 12, Pages 3583-3586Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2011.04.107
Keywords
Imidacloprid; Neonicotinoid insecticides; Nicotinic acetylcholine receptor; Haloacetylimino pharmacophore
Categories
Funding
- National Science Foundation [CHE-0840505]
- Direct For Mathematical & Physical Scien [840505] Funding Source: National Science Foundation
- Division Of Chemistry [840505] Funding Source: National Science Foundation
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This structure-activity relationship study for neonicotinoids with an N-haloacetylimino pharmacophore identifies several candidate compounds showing outstanding insecticidal potency and consequently leads to establishing their molecular recognition at an insect nicotinic receptor structural model, wherein the neonicotinoid halogen atoms (fluorine, chlorine, bromine, and iodine) variously interact with the receptor loops C-D interfacial niche via H-bonding and/or hydrophobic interactions. (C) 2011 Elsevier Ltd. All rights reserved.
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