Barbet J, Le Doussal J M, Gruaz-Guyon A, Martin M, Gautherot E, Delaage M
Immunotech S.A., Marseille, France.
J Theor Biol. 1993 Dec 7;165(3):321-40. doi: 10.1006/jtbi.1993.1192.
A method to calculate multiple binding equilibria by looking for a set of complexes satisfying the conservation principle among sets of concentrations of ligands, receptors satisfying the mass action equations is described. The method replaces complex analytical derivations of equations representing the interactions by the minimization of a single function. The method was implemented for use on microcomputers and applied to the calculation of the binding isotherms of the interactions between a bivalent ligand, a bivalent antibody and the cell surface Fc-receptor. The binding parameters were adjusted to experimental data obtained with P388D1 cells, a monoclonal antibody against DTPA-indium complexes and monovalent and bivalent DTPA-indium haptens. The binding of the antibody and of the haptens to P388D1 cells, as a function of antibody or hapten concentration, was satisfactorily represented using a model in which the antibody molecules bind co-operatively to the Fc-receptor in the presence of cross-linking bivalent hapten. The method can thus be used as a general tool for the numeric calculation of complex equilibrium involving simultaneous interactions of multiple receptors and ligands.
描述了一种通过寻找一组满足守恒原理的复合物来计算多重结合平衡的方法，这些复合物存在于满足质量作用方程的配体、受体浓度组中。该方法通过最小化单个函数来替代表示相互作用的方程的复杂解析推导。该方法已在微型计算机上实现，并应用于计算二价配体、二价抗体与细胞表面Fc受体之间相互作用的结合等温线。结合参数根据用P388D1细胞、抗DTPA-铟复合物的单克隆抗体以及单价和二价DTPA-铟半抗原获得的实验数据进行调整。使用一个模型可以令人满意地表示抗体和半抗原与P388D1细胞的结合情况，该模型中，在交联二价半抗原存在下，抗体分子协同结合到Fc受体上。因此，该方法可作为一种通用工具，用于涉及多个受体和配体同时相互作用的复杂平衡的数值计算。
