Pharmacophore model for neonicotinoid insecticides

An effective prediction pharmacophore model (RMS = 0.634, Correl = 0.893, Weight = 1.463, Config = 11.940) was successfully obtained by 3D-QSAR based on a series of nAChR (nicotinic acetylcholine receptors) agonists, which consists of a hydrogen-bonding acceptor, a hydrogen-bond donor, a hydrophobic aliphatic and a hydrophobic aromatic centre. This pharmacophore model may provide theoretical basis for designation and development of higher active insecticides.