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 84 Matches

Tramadol_V14R1_JohnsonandJohnson_20151029

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

Lamivudine_V18R1_Simcyp_20200212

FO, mainly renally excreted. Has been used with HV, pregnancy population and elderly population.

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).

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

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