Development of a Stoichiometric Model for Estimation of Metabolic Fluxes in Saccharomyces cerevisiae during Tequila Production

In this study is developed an aerobic and anaerobic stoichiometric model for Saccharomyces cerevisiae, compartmentalized in mitochondria and cytosol. This model considers the central metabolism of S. cerevisiae and it possesses the peculiarity of having catabolic and anabolic biochemical reactions for the synthesis of the higher alcohols contained in tequila; involving 94 metabolites and 117 reactions; of which 93 correspond to biochemical internal reactions and 24 to transport fluxes between the medium and the cell. The model is validated under aerobic and anaerobic conditions for the main fermentation metabolites and it coincides with experimental results and those in silico reported in the literature. This model is used to obtain three different physiological states of S. cerevisiae through of estimation of its distributions of fluxes calculated from experimental data reported in literature of fermentation in continuous culture during the tequila production under different dilution rate (0.04-0.12 h^-1). The model developed constitutes a tool for the estimation of flux distribution maps during fermentation processes for the production of tequila, which could permit estimate yields and visualize different fermentation scenarios.