Maldonado2017 - Integration of Genome Scale Metabolic Networks and Gene Regulation of Metabolic Enzymes With Physiologically Based Pharmacokinetics

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Model Identifier
MODEL2111050001
Short description
Example models of ongoing work on integration of PBPK, GSMNs, and metabolic gene regulation.
Format
Other
Related Publication
  • Integration of Genome Scale Metabolic Networks and Gene Regulation of Metabolic Enzymes With Physiologically Based Pharmacokinetics.
  • Maldonado EM, Leoncikas V, Fisher CP, Moore JB, Nick J. Plant, Kierzek AM
  • CPT: pharmacometrics & systems pharmacology , 11/ 2017 , Volume 6 , Issue 11 , pages: 732-746 , PubMed ID: 28782239
  • School of Biosciences and Medicine, Faculty of Health and Medical Sciences, University of Surrey, Guildford, Surrey, UK.
  • The scope of physiologically based pharmacokinetic (PBPK) modeling can be expanded by assimilation of the mechanistic models of intracellular processes from systems biology field. The genome scale metabolic networks (GSMNs) represent a whole set of metabolic enzymes expressed in human tissues. Dynamic models of the gene regulation of key drug metabolism enzymes are available. Here, we introduce GSMNs and review ongoing work on integration of PBPK, GSMNs, and metabolic gene regulation. We demonstrate example models.
Contributors
Krishna Kumar Tiwari

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Non-curated

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Model files

PBPK_GSMN_NR.ctrl.txt Files from Supplementary material 5.52 KB Preview | Download

Additional files

CLEAN.bat Files from Supplementary material 29.00 Bytes Preview | Download
COMPILE.bat Files from Supplementary material 60.00 Bytes Preview | Download
HepatoNet1_EMM_14122016.sfba Files from Supplementary material 374.61 KB Preview | Download
PBPK_GSMN_NR.qsspn Files from Supplementary material 21.96 KB Preview | Download
PBPK_GSMN_NR.spept Files from Supplementary material 612.13 KB Preview | Download
RUN.bat Files from Supplementary material 52.00 Bytes Preview | Download
cyggcc_s-seh-1.dll Files from Supplementary material 69.52 KB Preview | Download
cygstdc++-6.dll Files from Supplementary material 1.29 MB Preview | Download
cygwin1.dll Files from Supplementary material 3.16 MB Preview | Download
psp412230-sup-0001-suppinfo.pdf Files from Supplementary material 645.50 KB Preview | Download
qsspn.exe Files from Supplementary material 2.87 MB Preview | Download
spept2ode.py Python file for the model conversions 13.44 KB Preview | Download

  • Model originally submitted by : Krishna Kumar Tiwari
  • Submitted: Nov 5, 2021 1:59:11 PM
  • Last Modified: Nov 5, 2021 1:59:11 PM
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  • Version: 1 public model Download this version
    • Submitted on: Nov 5, 2021 1:59:11 PM
    • Submitted by: Krishna Kumar Tiwari
    • With comment: Import of Maldonado2017 - Integration of Genome Scale Metabolic Networks and Gene Regulation of Metabolic Enzymes With Physiologically Based Pharmacokinetics