【摘要】 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。更多还原

【Abstract】 To obtain quantitative information of binding selectivity for insect GABA (r-aminobutyric acid) receptors versus mammalian GABA receptors of bicyclophosphorothionates, three-dimensional quantitative structure-activity relationship (3D-QSAR) was performed using comparative molecular field analysis (CoMFA) based on relative binding affinity data from bicyclophosphorothionates with housefly and rat GABA receptors binding assay. The results indicated that the binding sites of housefly GABA receptors possess a space that can completely accommodate the bulk of 3-isopropyl and 4-isobutyl groups, but the rat GABA receptors counterpart does not.更多还原