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Simulation and validation of modelled sphingolipid metabolism in Saccharomyces cerevisiae

机译：酿酒酵母中鞘脂代谢模型的模拟和验证

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Mathematical models have become a necessary tool for organizing the rapidly increasing amounts of large-scale data on biochemical pathways and for advanced evaluation of their structure and regulation. Most of these models have addressed specific pathways using either stoichiometric or flux-balance analysis, or fully kinetic Michaelis-Menten representations, metabolic control analysis, or biochemical systems theory. So far, the predictions of kinetic models have rarely been tested using direct experimentation. Here, we validate experimentally a biochemical systems theoretical model of sphingolipid metabolism in yeast. Simulations of metabolic fluxes, enzyme deletion and the effects of inositol (a key regulator of phospholipid metabolism) led to predictions that show significant concordance with experimental results generated post hoc. The model also allowed the simulation of the effects of acute perturbations in fatty-acid precursors of sphingolipids, a situation that is not amenable to direct experimentation. The results demonstrate that modelling now allows testable predictions as well as the design and evaluation of hypothetical 'thought experiments' that may generate new metabolomic approaches.
机译：数学模型已成为组织快速增加的生化途径大规模数据以及对其结构和调控进行高级评估的必要工具。这些模型中的大多数已使用化学计量或通量平衡分析或全动力学Michaelis-Menten表示，代谢控制分析或生化系统理论解决了特定途径。到目前为止，很少使用直接实验来检验动力学模型的预测。在这里，我们通过实验验证了酵母中鞘脂代谢的生化系统理论模型。对代谢通量，酶缺失和肌醇（磷脂代谢的关键调节剂）的影响进行模拟，得出的预测与事后产生的实验结果具有显着的一致性。该模型还可以模拟鞘脂的脂肪酸前体中的急性扰动效应，这种情况不适合直接进行实验。结果表明，建模现在可以进行可检验的预测，以及可能产生新的代谢组学方法的假设“思想实验”的设计和评估。

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