Metabolic Network Reconstructions to Predict Drug Targets and Off-Target Effects

  • Kristopher Rawls
  • Bonnie V. Dougherty
  • Jason PapinEmail author
Part of the Methods in Molecular Biology book series (MIMB, volume 2088)


The drug development pipeline has stalled because of the difficulty in identifying new drug targets while minimizing off-target effects. Computational methods, such as the use of metabolic network reconstructions, may provide a cost-effective platform to test new hypotheses for drug targets and prevent off-target effects. Here, we summarize available methods to identify drug targets and off-target effects using either reaction-centric, gene-centric, or metabolite-centric approaches with genome-scale metabolic network reconstructions.

Key words

Genome-scale metabolic network reconstruction (GENRE) Drug targets Off-target effects Constraint-based modeling Flux balance analysis (FBA) 


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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2020

Authors and Affiliations

  • Kristopher Rawls
    • 1
  • Bonnie V. Dougherty
    • 1
  • Jason Papin
    • 1
    Email author
  1. 1.Department of Biomedical EngineeringUniversity of VirginiaCharlottesvilleUSA

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