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1、基于基于GABAGABA受体的药物设计受体的药物设计巨修练武汉工程大学2023/6/2GABA(g-aminobutyric acid)2023/6/2Model of GABA Receptor2023/6/2 Cl-Model of Cl-Channel2023/6/2Polychlorated Cyclanes 2023/6/2Picrodendrin Homologues2023/6/2Phenylpyrazoles2023/6/2Trioxabicyclooctanes2023/6/2Butyl benzoatesModification of GABA Antagonists 20
2、23/6/23HEBOB2023/6/2Inhibition of 3HEBOB Binding LC50rat=1.41 mM,LC50fly=2.90 mM2023/6/2Bicyclic GABA Antagonists2023/6/2Nematocidal ActivityLD50=24.7 mM 2023/6/2LC50 rat/LC50 housefly=2360 nM/45 nM=52(in vitro）Compound 15LD50housefly=0.04 mg/fly（in vivo）2023/6/22023/6/2Presumption of Binding Sites2
3、023/6/2Presumption of Binding SitesEBOB2023/6/2Possible Interaction of GABA Antagonists with Their Binding Sites2023/6/2Compound 142023/6/2Lowest Energy Conformation of Compound 142023/6/2Alignment of The Training Set 2023/6/2Pharmacophore Map of Housefly GABA Receptor2023/6/2Pharmacophore Map of Ra
4、t GABA Receptor2023/6/2HouseflyRatComparison of Housefly and Rat GABA Receptors 2023/6/2 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.Summary2023/6/2欢迎合作，共同发展。本实验室可提供SYBYL 6.92 软件包2023/6/22023/6/2