Prediction of activation of metabolic pathways via dynamic optimization

Abstract

Genetic regulation of metabolic networks may be driven by optimality principles. Dynamic optimization can be used to either predict (a priori) or explain (a posteriori) the activation profile of genes and/or enzymes in metabolic pathways. In the proposed approach, the use of a suitable dynamic optimization direct method is combined with adequate global optimization solvers, implemented in the DOTcvpSB toolbox. The main advantage of this approach is that arbitrarily complex pathways can be considered, including branched ones, while avoiding convergence to local solutions. In order to illustrate the capabilities of the proposed methodology, several examples are presented and solved. © 2011 Elsevier B.V.