Communication Dans Un Congrès Année : 2025

IsoDesign: software for optimizing the isotopic composition of labeled substrates in 13C-fluxomics experiments

Résumé

The study of metabolic fluxes provides a detailed phenotypic and functional description of cellular metabolism, contributing to a better understanding of biological processes. Metabolic Flux Analysis (MFA) encompasses a set of approaches used to quantify biochemical reaction rates within metabolic networks, relying on mathematical modeling methods. 13C-MFA is an approach that leverages isotopic data from stable carbon-13 (13C) labeling experiments to calculate metabolic fluxes. The ability to compute fluxes of interest and their accuracy strongly depend on the experimental design, particularly on the choice of labeled substrates. However, determining and selecting the optimal labeling configurations of substrates is a complex and time-consuming task, requiring the exploration of multiple labeling configurations within a vast solution space. This selection is even more challenging as it depends on optimizing flux accuracy, analytical capabilities, and the often high cost of labeled substrates, making the analysis of possible combinations even more complex. To accelerate this process, we have developed IsoDesign, an open-source Python tool (https://github.com/MetaboHUMetaToul-FluxoMet/IsoDesign) dedicated to optimizing the isotopic composition of labeled substrates for 13C-fluxomics experiments. With its intuitive graphical interface and the use of the influx si software (https://github.com/sgsokol/influx) for flux calculation, IsoDesign facilitates the design of isotopic labeling experiments, improving accuracy and reducing the cost of 13C-MFA experiments.

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Dates et versions

hal-05168002 , version 1 (21-07-2025)

Identifiants

  • HAL Id : hal-05168002 , version 1

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Rochelle Kouakou, Loïc Le Grégam, Floriant Bellvert, Fabien Jourdan, Jean-Charles Portais, et al.. IsoDesign: software for optimizing the isotopic composition of labeled substrates in 13C-fluxomics experiments. RFMF 2025, Jun 2025, Paris, France. ⟨hal-05168002⟩
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