Enzyme Cascade Process Design and Modelling

In recent years, the use of multi-enzyme cascades to catalyze synthetic reactions has become increasingly commonplace in the laboratory as a means of enabling the synthesis of complex molecules of interest. When coupled with ex vivo cofactor regeneration, cascades provide the possibility for a potentially scalable synthesis. However, challenges of cross-reactivity and optimization as well as control suggest that modularization, rather than one-pot synthesis, is a particularly attractive route for scale-up. In this chapter, the concept of cascade process design using modularization will be further outlined and the specific role of mathematical modelling in both enzyme stoichiometric balancing, as well as optimization of individual cascade modules and the complete process will be discussed.