N-haloacetylimino neonicotinoids: potency and molecular recognition at the insect nicotinic receptor.

Abstract 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.