Pharmacophore model for the housefly GABA receptor inhibitors

The pharmacophore model for the housefly γ-aminobutyric acid(GABA) receptor inhibitors was built using the catalyst software by the process of structure building,conformation analysis and pharmacophore generation.Four types of GABA receptor inhibitors with high activities in vitro and great differences in structures were selected as the training set.The optimal pharmacophore model has better prediction ability(RMS=0.766449,Correl=0.905422,Weight=1.87642,Config=13.7434),including an aromatic ring center,an aliphatic hydrophobic core and two hydrogen-bond acceptors.This pharmacophore model is significant for designing novel GABA receptor inhibitors and better understanding the action mode between ligands and GABA receptors.