基于基于基于基于GABAGABA受体的药物设计受体的药物设计受体的药物设计受体的药物设计巨修练巨修练武汉工程大学武汉工程大学2024/7/22GABA(g g-aminobutyric acid)2024/7/22Model of GABA Receptor2024/7/22 Cl-Model of Cl- Channel2024/7/22Polychlorated Cyclanes 2024/7/22Picrodendrin Homologues2024/7/22Phenylpyrazoles2024/7/22Trioxabicyclooctanes2024/7/22Butyl benzoatesModification of GABA Antagonists 2024/7/223HEBOB2024/7/22Inhibition of 3HEBOB Binding LC50rat = 1.41 mM, LC50fly = 2.90 mM2024/7/22Bicyclic GABA Antagonists2024/7/22Nematocidal ActivityLD50 = 24.7 mM 2024/7/22LC50 rat / LC50 housefly = 2360 nM / 45 nM = 52 (in vitro）Compound 15LD50housefly = 0.04 mg/fly（in vivo）2024/7/222024/7/22Presumption of Binding Sites2024/7/22Presumption of Binding SitesEBOB2024/7/22Possible Interaction of GABA Antagonists with Their Binding Sites2024/7/22Compound 142024/7/22Lowest Energy Conformation of Compound 142024/7/22Alignment of The Training Set 2024/7/22Pharmacophore Map of Housefly GABA Receptor2024/7/22Pharmacophore Map of Rat GABA Receptor2024/7/22HouseflyRatComparison of Housefly and Rat GABA Receptors 2024/7/22 GABA receptor is one of the important target for developing insecticides. Electrophysiological, biochemical, and pharmacological studies have indicated that a number of differences exist between insect and vertebrate GABA receptors. Exploring such differences by 3DQSAR may develop safer insecticide.Summary2024/7/22欢迎合作，共同发展。欢迎合作，共同发展。本实验室可提供本实验室可提供SYBYL 6.92软件包软件包2024/7/222024/7/22