In the present article, we introduce a new method for identification of metabolic pathways in constraint based models that consider enzyme and substrate concentrations. It generates data on reaction fluxes based on biomass conservation constraint and then a set of constraints is formulated incorporating weighting coefficients corresponding to concentration of enzymes catalyzing reactions in the pathway. Finally, the rate of yield of the target metabolite, starting with a given substrate, is maximized in order to identify an optimal pathway through these weighting coefficients. In an attempt to solve this problem, we have developed a learning technique that optimizes a given objective function to find the optimal pathways. Finally, we propose a modification of the Newton Raphson method and incorporate it to our proposed methodology, which yields more relevant results from the perspective of biology.
C. A. Murthy, Mouli Das, Rajat K. De, Subhasis Muk