Search the PBPK Model Repository

Quickly find freely available drug and population models in our PBPK model repository.

The models provided have been collated from published examples which authors have shared in our Published Model Collection or developed as part of various global health projects in our Global Health Collection. This search facility searches both model collections simultaneously.

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Found 131 Matches

Probenecid_V12R1_FDA_20150709
Model Files Publication
Supplemental table. Ki against OAT transporters can be changed (sensitivity analysis was conducted in the referenced publication to explore "in vivo" Ki).
Search Score: 1
Ondansetron_V14R1_AstraZeneca_20200427
Model Files Publication
Ondansetron adult compound file for paediatric prediction.
Search Score: 1
Zepatier_V19R1_Pfizer_20210804
Model Files Publication
An optimized Rosuvastatin (V19) model was used and DDIs predominantly driven by gut BCRP inhibition are reasonably recovered. Altogether, the following inhibitors were used: Capmatinib Fenebrutinib Fostamatinib Itraconazole Zepatier The workspace represents the DDI between Rosuvastatin and Zepatier. Zepatier is an antiviral medicine that contains the active substances elbasvir and grazoprevir. The two compounds were simulated as Inhibitor 1 and Inhibitor 2, respectively. Link to the publication with further details: http://doi.org/10.1002/psp4.12672
Search Score: 1
Pyronaridine
Model Files Publication

Brand Name(s) include: Pyramax

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

Related files: Artesunate (fixed dose combination – Pyramax)

The model at-a-glance

  Absorption Model
  • First-Order

  Volume of Distribution

  • Full PBPK (Method 3)
  • Note: Kp scalar used

  Route of Elimination
  • CYP1A2, CYP2B6, CYP2C8, CYP2D6 and CYP3A4

  Perpetrator DDI
  • CYP2D6 Inhibitor
  • P-gp Inhibitor

  Validation

  • Two clinical studies describing pyronaridine exposure were available for model verification.  100% of predicted Cmax were within 1.5-fold of those observed whereas 40% of AUC were predicted within 1.5-fold of observed. This can be explained as observed exposure at 9mg/kg dose was lower than at 6 mg/kg.  The model recovered the observed data at the 6 mg/kg dose but then over predicted that at the higher dose.

  Limitations
  • One challenge in the verification of the model is the diverse ethnicities of subjects in reported clinical data and how best to reflect this in simulations.  In the absence of virtual Korean populations within the Simulator, the Caucasian population was modified in terms of bodyweight.  In the absence of supporting information, no changes to enzyme abundance (pmol/mg) were made to the population, although changes to liver weight (as a function of body weight) and hence total CYP abundance were propagated into the model.

  Updates in V19
  • Switched to Method 3 to facilitate like for like comparisons for covid- 19     repurposing strategies

 

Search Score: 1

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