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为获取双环硫化磷酸酯类化合物对昆虫γ-氨基丁酸(GABA)受体和哺乳动物γ-氨基丁酸受体的亲合选择性定量信息,基于实验所测定的双环硫化磷酸酯类化合物与家蝇及大白鼠GABA受体结合的相对活性数据,以比较分子场分析法进行了三维定量构效关系研究。结果表明,家蝇GABA受体的亲合区域有足够的空间容纳异丙基和异丁基,但大白鼠GABA受体的亲合区域不具有这样的空间。
In order to obtain the quantitative information on the affinity of bicyclic phosphorothioate compounds to the GABA receptors in mammals and the γ-aminobutyric acid receptors in mammals, based on the experimental data, Musca domestica and GABA receptor binding activity of relative activity data, comparative molecular field analysis of three-dimensional quantitative structure-activity relationship. The results show that there is sufficient space for the housefly GABA receptor affinity region to accommodate isopropyl and isobutyl, but the affinity region of the GABA receptor in the rat does not have such a space.