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 11 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: 2
Azithromycin
Model Files Publication

Brand Name(s) include: Zithromax

Disease: Malaria

Drug Class: Marcolide Antibiotic

Date Updated: March 2021

The model at-a-glance

  Absorption Model
  • First-Order

  Volume of Distribution

  • Full PBPK (Method 2)

Note: A Kp scalar (0.04) was used in the model

  Route of Elimination
  • No metabolism; a biliary CLint was input based on clinical data

  Perpetrator DDI
  • None

  Validation

  • Two clinical studies describing single and multiple dose exposure of atovaquone were used to verify the PBPK model. 100% of studies were within 1.5-fold.

  Limitations
  • There are some data to suggest atovaquone is an inhibitor of BCRP.  This is currently not included within the model.

  Updates in V19
  • Updated in vitro­ data
    • LogP: 5.8 -> 8.4
    • Caco-2 Papp > 300 x 10-6 cm/s
    • Propranolol Papp 101 x 10-6 cm/s
  • Optimized ka and tlag
  • Converted from minimal PBPK model to full PBPK model

 

Search Score: 1
Tramadol_V14R1_JohnsonandJohnson_20151029
Model Files Publication

V12 R1 compound file built to simulate adult Human PK and pediatric PK. Supplied file is for V14 R1. “Physiology-Based IVIVE Predictions of Tramadol from in Vitro Metabolism Data” in Pharm Res January 2015, Volume 32, Issue 1, pp 260-274 http://link.springer.com/article/10.1007%2Fs11095-014-1460-x “Physiologically Based Pharmacokinetic Predictions of Tramadol Exposure Throughout Pediatric Life: an Analysis of the Different Clearance Contributors with Emphasis on CYP2D6 Maturation.” in AAPSJ November 2015, Volume 17, Issue 6, pp 1376-1387 http://link.springer.com/article/10.1208%2Fs12248-015-9803-z

Search Score: 1
Indinavir
Model Files Publication

Brand Name(s) include: Crixivan

Disease: HIV

Drug Class: Protease inhibitor

Date of Review: 2020

Number of Models Reviewed: 1

Number of Models added to the Repository: 1

The model at-a-glance

 Publication

Ke AB, Nallani SC, Zhao P, Rostami-Hodjegan A, Unadkat JD. A PBPK Model to Predict Disposition of CYP3A-Metabolized Drugs in Pregnant Women: Verification and Discerning the Site of CYP3A Induction. CPT Pharmacometrics Syst Pharmacol. 2012 Sep 26;1(9):e3.

 Simcyp Version

V13

 Published Model Application

Prediction of exposure in pregnancy

 Absorption Model

First Order
 Volume of Distribution Details

Full PBPK

 Route of Elimination
  • CYP3A4 and renal clearance
    • Nonlinear CYP3A4 kinetics

 Perpetrator DDI
  • None 

 Advantages and Limitations
  • Model developed in healthy volunteers to simulate indinavir PK in pregnant women.
  • Can simulate iv and oral data.
  • Verified in healthy subjects and pregnant women in the third trimester.
  • FmCYP3A4 not verified with clinical data.

 Model Compound Files
  • v18_res_indinavir_simcyp_ke
Search Score: 1

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