A generalized numerical approach to rapid-equilibrium enzyme kinetics: application to 17beta-HSD.

A generalized numerical treatment of rapid-equilibrium enzyme kinetics is presented. This new approach relies on automatic computer derivation of the underlying mathematical model (a system of simultaneous nonlinear algebraic equations) from a symbolic representation of the reaction mechanism (a system of biochemical equations) provided by the researcher. The method allows experimental biochemists to analyze initial-rate enzyme kinetic data without having to use any mathematical equations. An illustrative example is based on the inhibition kinetics of 17beta-hydroxysteroid dehydrogenase type 5 by a class of natural compounds. A computer implementation of the new method, a newly modified software package DYNAFIT [Kuzmic, P., 1996. Program DYNAFIT for the analysis of enzyme kinetic data: application to HIV proteinase. Anal. Biochem. 237, 260-273], is freely available to all academic researchers.