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 99 Matches

ItraconazoleAndTwoMetabolites_V17R1_AstraZeneca_20191113
Capsule and solution formulation of itraconazole in different compound files. 2 Metabolites: OH-itraconazole and KETO-itraconazole. Note: If you wish to add both itraconazole metabolites then itraconazole has to be placed as substrate. https://doi.org/10.1124/dmd.118.081364
Lamivudine_V18R1_Simcyp_20200212
FO, mainly renally excreted. Has been used with HV, pregnancy population and elderly population.
Morphine&Morphine-3-Glucuronide_V18R1_UniversityOfNorthCarolina_20201005
The submitted workspace file is for Morphine and Morphine-3-glucuronide compound files, with a full PBPK distribution model, ADAM and permeability-limited liver. The model also includes enterohepatic recycling and cleavage of the glucuronide in the gut lumen. The Sim-Healthy Volunteers population library was modified with regards to the relative enzyme abundance of luminal deglucuronidation. The setting in the workspace reflects the trial design from Stuart-Harris et al., 2000. Stuart-Harris R, Joel SP, McDonald P, Currow D, Slevin ML. The pharmacokinetics of morphine and morphine glucuronide metabolites after subcutaneous bolus injection and subcutaneous infusion of morphine. Br J Clin Pharmacol 49 207-214. (2000)
Pyrimethamine

Brand Name(s) include: Daraprim

Disease: Malaria

Drug Class: Antimalarials

Date Updated: November 2021

Model at-a-glance

  Absorption Model

  • First-Order

  Volume of Distribution 

  • Full PBPK (Method 2) 

Note: Kp scalar used

  Route of Elimination

  • Non-specific hepatic metabolism (metabolizing enzymes not known)

  Perpetrator DDI

  • OCT1 and OCT2 inhibitor

  Validation

  • Three clinical studies were available for model verification.  100% of simulated Cmax and AUC were within 1.5-fold of observed and hence the model performance was deemed acceptable.

  Limitations

  • The current model does not describe enzyme specific metabolism of pyrimethamine as there are no data for specific routes of metabolism.​

The current model does not mechanistically describe the absorption of pyrimethamine as the ADAM model over-predicts the extent of absorption. Although pyrimethamine is described as well absorbed in some literature, further analysis of the IV and PO data did not support this. 

  Updates in V19

  • Updated in vitro­ data
    • fup: 0.085 -> 0.095

 

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