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根据Pullman等提出的酶水解底物的双正键理论及Verloop等提出的取代基立体参数,本文以底物双正键的键正性(BondPositivity,BP)作电子参数,取代基最小宽度(B_1)作立体参数,对23个磷酸取代苯二乙酯抑制胆碱酯酶的作用,进行了构效分析,得到以下回归方程:PI_(50)=88.9BP+12.8B_1-2.95B_1~2-76.1n=23,r=0.7,F=5.8文中还计算了取代基最小宽度的最佳值为2.17(?)。
According to the double positive bond theory proposed by Pullman et al. And the stereo parameters of the substituent proposed by Verloop et al. In this paper, BondPositivity (BP) as the electronic parameter and the minimum substituent width (B_1 ) For the three-dimensional parameters of the 23 substituted phenyl phosphoric acid inhibition of cholinesterase role, the structure-activity analysis, the following regression equation: PI_ (50) = 88.9BP + 12.8B_1-2.95B_1 ~ 2-76.1 n = 23, r = 0.7, F = 5.8 The optimal value of the minimum width of substituents is also calculated as 2.17 (?).