Computer simulation and optimization, as exemplified by the enzyme-coupled aminotransferase (transaminase) assays.

We have constructeda computermodel,basedon experimentaldata and the known properties of the enzymes involved, of the aspartate aminotransferase and alanine aminotransferase assays by the coupled-enzyme procedure of Henry et al. [Amer. J. Clln. Pathol. 34, 381 (1960)] to assay sera from normal persons and persons with liver disease or myocardial infarct. Observed inhibitions of aminotransferase activity were included in the models. When the computer models are combined with art optimizationprocedure, substrate concentrations that result in maximum enzyme activity for individual sera are obtained. Aminotransferase activity is not much affected by rather large changes in these concentrationsaround the optimum. The optimal concentrations we computed are close to those currently accepted. The computer methods involved may be applied to other assays, and factors other than reagent concentration may be optimized.