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 157 Matches

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
Capmatinib_RES_V21R1_Simcyp_20230615
Model Files Publication

The RES-Capmatinib_V21 model has been developed primarily as an inhibitor of hepatic OATP1B1 and OATP1B3, and intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default for V22. The verification for 200mg SD, 400mg SD, 600mg SD is performed in the Sim-Healthy Volunteer population and for the 400 mg BID in the Sim-Cancer population. A multiple plasma protein approach is used, accounting for HSA, AGP, IgG and lipoprotein inputs for the populations. The metabolism is simulated using Cytosolic Oxidases (rhAO) and CYP3A4. The Rosuvastatin DDI is using a 400mg BID dosing for Capmatinib in the fasted state.

Search Score: 1
Levonorgestrel_RES_V21R1_Simcyp_20220401
Model Files Publication

The V21 RES-Levonorgestrel file has been developed as a substrate of CYP3A4. The file was developed to capture the pharmacokinetics after administration of Levonorgestrel alone or in combination with Ethinyl Estradiol. A workspace and performance summary are available. Levonorgestrel is known to bind to the plasma protein Sex Hormone Binding Globulin and this has been captured in the file by utilising the other protein option in the population.

Search Score: 1

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