ArticleScientific reports2020
Identification of flux checkpoints in a metabolic pathway through white-box, grey-box and black-box modeling approaches.
Article in Scientific reports, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- A Framework for Quantitative Systems Pharmacology Model Execution.Handbook of experimental pharmacology · 2025Review
- Metabolic Fluxes Using Deep Learning Based on Enzyme Variations:International journal of molecular sciences · 2024Article
- ASAS-NANP symposium: mathematical modeling in animal nutrition: limitations and potential next steps for modeling and modelers in the animal sciences.Journal of animal science · 2022Review
- Modeling and Optimization of a Molecular Biocontroller for the Regulation of Complex Metabolic Pathways.Frontiers in molecular biosciences · 2022Article
- Non-linearity of Metabolic Pathways Critically Influences the Choice of Machine Learning Model.Frontiers in artificial intelligence · 2022Article
- Harnessing Interactional Sensory Genes for Rationally Reprogramming Chaotic Metabolism.Research (Washington, D.C.) · 2022Article
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Authors and funding
7 authors.
Funding
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Abstract
Metabolic pathway modeling plays an increasing role in drug design by allowing better understanding of the underlying regulation and controlling networks in the metabolism of living organisms. However, despite rapid progress in this area, pathway modeling can become a real nightmare for researchers, notably when few experimental data are available or when the pathway is highly complex. Here, three different approaches were developed to model the second part of glycolysis of E. histolytica as an application example, and have succeeded in predicting the final pathway flux: one including detailed kinetic information (white-box), another with an added adjustment term (grey-box) and the last one using an artificial neural network method (black-box). Afterwards, each model was used for metabolic control analysis and flux control coefficient determination. The first two enzymes of this pathway are identified as the key enzymes playing a role in flux control. This study revealed the significance of the three methods for building suitable models adjusted to the available data in the field of metabolic pathway modeling, and could be useful to biologists and modelers.
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