Haerlin R, Steinijans V
Arzneimittelforschung. 1978;28(2):292-7.
The effect produced by an inhibitor on an enzyme is characterized by the underlying mechanism and the molar inhibition coefficients Ki and Ki', respectively. The commonly used graphical estimation methods according to Lineweaver-Burk, Dixon and Cornish-Bowden do not always yield a differentiation between various possible mechanisms. According to our experience, a non-linear least-squares procedure allows a unique identification of the mechanism even in cases that are not at all, or not uniquely, solvable by graphical methods. The major advantages of this procedures and the used FORTRAN program are: 1. Fitting of the model equation itself-and not of a reciprocal conditional form-simultaneously to all measurements; 2. confidence limits for the parameter estimates; 3. residual plots to judge the goodness of fit; 4. parallel calculations and comparison of various mechanisms using the same set of data; 5. addition of further mechanisms as FORTRAN-subroutines.
抑制剂对酶产生的效应分别由潜在机制以及摩尔抑制系数Ki和Ki'来表征。常用的根据Lineweaver-Burk、Dixon和Cornish-Bowden方法进行的图形估计，并不总能区分各种可能的机制。根据我们的经验，即使在那些完全无法用图形方法解决或无法唯一解决的情况下，非线性最小二乘法也能唯一地确定机制。该方法及所使用的FORTRAN程序的主要优点有：1. 模型方程本身（而非倒数条件形式）与所有测量值同时拟合；2. 参数估计的置信限；3. 用于判断拟合优度的残差图；4. 使用同一组数据对各种机制进行并行计算和比较；5. 作为FORTRAN子程序添加更多机制。
