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 57 Matches

Amodiaquine

Brand Name(s) include: Basoquin, Camoquin, Flavoquin, Coarsucam

Disease: Malaria

Drug Class: Antimalarials

Date Updated: June 2021

The model at-a-glance

  Absorption Model

First-Order

  Volume of Distribution

Full PBPK (Method 2)

  Route of Elimination

CYP2C8 = 72%; Additional HLM = 28%

  Perpetrator DDI

  • CYP2D6 

  Validation

  • Four clinical studies describing single and multiple dose exposure of amodiaquine were used to verify the PBPK model. In comparison of predicted vs. observed AUC, 75% of the studies were 2-fold and 50% were within 1.5-fold. A clinical DDI study where amodiaquine was the victim of a CYP2C8-mediated DDI was accurately recovered using the PBPK model.

  Limitations

  • Clinical data has not been used to verify amodiaquine as a perpetrator of CYP2D6-mediated DDIs

  Updates in V19

  • Updated in vitro­ data
    • fu: 0.033 -> 0.089
    • B:P: 1.3 -> 1.1
    • DEAQ Ki for CYP2D6 (µM) – 1.7 -> 1.6
  • Converted from minimal PBPK model to full PBPK model
    • Recalculated retrograde clearance for CYP2C8 CLint and additional HLM CLint

 

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
Tenofovir_V18R1_Simcyp_20200212
Tenofovir dispoproxil fumarate: the dose was calculated to correct for the prodrug. FO, full PBPK model with method 2 and KP scalar. Mainly renally excreted (renal clearance input, not mechanistic).
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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