Application of computer algebra-techniques to metabolic control analysis

Bayram M., CELIK E.

COMPUTATIONAL BIOLOGY AND CHEMISTRY, vol.27, no.2, pp.141-146, 2003 (SCI-Expanded) identifier identifier


For practical purposes the calculation of rate constants is not particularly valuable, since their physical significance is not clear. Of greater practical use are metabolic control coefficients and elasticities. Given the definition of the flux control coefficients C-E(J), concentration control coefficient C-E(X) and elasticity epsilon(X)(r1). We can calculate symbolic formulae for these using computer algebra techniques. These are then functions of V-max, K-m, K-i enzyme and concentrations. Having derived estimates of V-max, K-m, K-i using the fitting method we can then calculate values of the control coefficients and elasticities. Furthermore we can calculate the metabolic control parameters using symbolic values for the conventional kinetic parametrs. Using these we have verified the summation and connectivity theorems. This is a useful cross check on the reliability of the calculations. (C) 2002 Elsevier Science Ltd. All rights reserved.