Dynamic Optimization of the PyNP/PNP Phosphorolytic Enzymatic Process Using MOSAICmodeling

Pyrimidine and purine nucleoside phosphorylases catalyze the reversible phosphorolytic cleavage and formation of the glycosidic bond of purine and pyrimidine nucleosides, respectively, and are thus, key catalysts for the synthesis of new compounds. The selection of the best combination of enzyme and reaction conditions is not trivial, as each of the two enzymes can perform the reaction in two directions and thus, also competes with the other one for the reaction intermediates. A generic approach to the solution of this problem based on the formulation of a mixed integer dynamic optimization program using MOSAICmodeling is presented. A generic approach for the computation of optimal process conditions for enzymatic reactions by modified nucleosides in a two‐step process using MOSAICmodeling is presented. This problem is formulated as a mixed integer dynamic optimization program so as to find the best combination of enzyme used, initial conditions, and temperature profiles.