Chou K C
Computational Chemistry, Upjohn Research Laboratories, Kalamazoo, Michigan 49001.
J Biol Chem. 1989 Jul 15;264(20):12074-9.
Graphic methods, when applied to enzyme kinetics, can provide a visually intuitive relation between calculations and reaction graphs. This will not only greatly raise the efficiency of calculations but also significantly help the analysis of enzyme kinetic mechanisms. In this paper, four graphic rules are presented. Rules 1-3 are established for steady state enzyme-catalyzed reaction systems and Rule 4 is for non-steady state ones. In comparison with conventional graphic methods which can only be applied to steady state systems, the present rules have the following merits. 1) Complicated and tedious calculations can be greatly simplified; for example, in calculating the concentrations of enzyme species for the bi-bi random mechanism, the calculation work can be reduced 8-fold compared with the King-Altman's method. 2) A great deal of wasted labor can be avoided; for example, in calculating the rate of product formation for the same mechanism, the operation of finding and removing the 96 reciprocally canceled terms is no longer needed because they automatically disappear during the derivation. 3) Final results can be easily and safely checked by a formula provided in each of the graphic rules. 4) Non-steady state systems can also be treated by the present graphic method; for example, applying Rule 4, one can directly write out the solution for a non-steady state enzyme-catalyzed system, without the need to follow more difficult and complicated operations to solve differential equations. The mathematical proofs of Rules 1-4 are given in Appendices A-D (in the Miniprint), respectively.
图形方法应用于酶动力学时,可在计算与反应图之间提供直观的视觉关系。这不仅能大大提高计算效率,还能显著有助于酶动力学机制的分析。本文提出了四条图形规则。规则1 - 3适用于稳态酶催化反应体系,规则4适用于非稳态体系。与仅适用于稳态体系的传统图形方法相比,本规则具有以下优点。1) 可大大简化复杂繁琐的计算;例如,在计算双底物随机机制中酶物种的浓度时,与金 - 奥特曼方法相比,计算工作量可减少8倍。2) 可避免大量无用功;例如,在计算相同机制下产物形成速率时,无需查找和去除96个相互抵消的项,因为它们在推导过程中会自动消失。3) 可通过每条图形规则中提供的公式轻松且安全地检查最终结果。4) 本图形方法也可处理非稳态体系;例如,应用规则4,可直接写出非稳态酶催化体系的解,无需进行更困难复杂的求解微分方程的操作。规则1 - 4的数学证明分别见附录A - D(在小字体部分)。