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    Theor Biol Med Model. 2006 Jul 17;3:24.

    A simplified method for power-law modelling of metabolic pathways from time-course data and steady-state flux profiles.

    Kitayama T, Kinoshita A, Sugimoto M, Nakayama Y, Tomita M.

    Institute of Advanced Bioscience, Keio University, Fujisawa, 252-8520, Japan. tomoyan@sfc.keio.ac.jp

    BACKGROUND: In order to improve understanding of metabolic systems there have been attempts to construct S-system models from time courses. Conventionally, non-linear curve-fitting algorithms have been used for modelling, because of the non-linear properties of parameter estimation from time series. However, the huge iterative calculations required have hindered the development of large-scale metabolic pathway models. To solve this problem we propose a novel method involving power-law modelling of metabolic pathways from the Jacobian of the targeted system and the steady-state flux profiles by linearization of S-systems. RESULTS: The results of two case studies modelling a straight and a branched pathway, respectively, showed that our method reduced the number of unknown parameters needing to be estimated. The time-courses simulated by conventional kinetic models and those described by our method behaved similarly under a wide range of perturbations of metabolite concentrations. CONCLUSION: The proposed method reduces calculation complexity and facilitates the construction of large-scale S-system models of metabolic pathways, realizing a practical application of reverse engineering of dynamic simulation models from the Jacobian of the targeted system and steady-state flux profiles.

    PMID: 16846504 [PubMed - indexed for MEDLINE]

    PMCID: PMC1550393

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