Equilibria and control of metabolic networks with enhancers and inhibitors

Abstract

Linear-In-Flux-Expressions (briefly LIFE) methodology models metabolism by using correlations among fluxes of metabolic networks and reducing the number of model parameters. These correlations are calculated for an equilibrium state and developed to include tools from the fields of network flows, compartmental systems, Markov chains, and control theory. LIFE methodology was developed with pharmacology simulators in mind, and the present study advances this goal, by focusing on the control of metabolic networks and inclusion of enhancers and inhibitors. We consider two control problems on metabolic networks: 1. The optimization of intakes from the outside environment to drive the system to a desired state, and 2. The inclusion of inhibitors and enhancers and their optimization. Simulations are included to test the approach on these more complex networks.

Keywords

• systems biology
• flows on graphs
• control
• ordinary differential equations