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.

To contribute published user compound and/or population files, upload your files here: Upload Model Files

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Found 113 Matches

Capmatinib_RES_V21R1_Simcyp_20230615

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.

Piperaquine

Brand Name(s) include: Eurartesim

Disease: Malaria

Drug Class: Antimalarials

Date Updated: January 2022

Related Files: DHA (partner in fixed dose combination)

The model at-a-glance

  Absorption Model

  • First-Order (dose and food-dependent fa – saved in different models)

  Volume of Distribution

  • Full PBPK (Method 2)
  • Notes: Includes a Kp scalar and Kpadipose

  Route of Elimination

  • CYP3A4 (80%), CYP2C9 (10%), CYP2C19 (10%)

  Perpetrator DDI

  • CYP3A4 Inhibitor

  Validation

  • Two clinical studies with fasted and fed groups at varying dose levels describing single and multiple dose exposure of piperaquine were used to verify the PBPK model. All of the simulated studies were within 1.5-fold of the observed values. 
  • A clinical DDI study where piperaquine was the victim of a CYP3A4-mediated DDI was accurately recovered using the PBPK model as well as a CYP3A4 perpetrator DDI with the sensitive substrate midazolam.

  Limitations

  • Requires separate files for low and high dose due to dose-dependant fa​
  • Cmax overprediction, likely due to formulation differences​
  • Additional verification for DDIs would be ideal although studies are currently not available in literature

  Updates in V19

  • Updated in vitro­ data
  • LogP
  • Converted model to full PBPK with Vss predicted through Method 2

 

CrohnsDiseasePopulation_V19R1_UniversityOfManchester_20230322

This model is a Crohn's disease (CD) population model for adult patients, created in Simcyp version 19. Alteration of GIT parameters and other physiological parameters like albumin level incorporated based on literature available data of inactive state of CD. The demographic and formulation information are based on the published in vivo pharmacokinetics data of midazolam and budesonide in CD patients. The model details and results are published in 2022 DOI: 10.1007/s40262-022-01169-4 

Dolutegravir_RES_V23R1_Simcyp_20240404

Simcyp developed dolutegravir compound file. Compound summary including an outline on the current status and limitations included.

The RES-Dolutegravir model has been developed primarily as a UGT1A1 and CYP3A4 substrate, and as an inhibitor of renal MATE1 and OCT2 transporters. MATE1 and OCT2 inhibition parameters have been optimized to capture impact of dolutegravir on metformin pharmacokinetics but have not been independently verified. In vitro observed inhibition of MATE2-K by dolutegravir has not been included as the parameter could not be optimized and verified with the substrate models and clinical data available at the time of dolutegravir model development.

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