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 85 Matches

Entecavir_V15R1_USFDA_20170810
Entecavir compound file in healthy volunteers. Evaluation of the effect of renal impairment on PK of OAT substrates. NOTE: file has predicted Vss of 0.98 L/kg. Table 1 value is 0.9 L/kg. http://onlinelibrary.wiley.com/doi/10.1002/cpt.750/full
Eltrombopag_RES_V21R1_Simcyp_20230615

Prepared: June 2023 The RES-Eltrombopag_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 in V22. The file is verified as tablet in the fasted state as that formulation was used in the Rosuvastatin DDI (Allred et al., 2011). The PK for Eltrombopag was evaluated at 25mg, 50mg and 75mg SD; 50mg QD, 100mg QD, 150mg QD, and 200mg QD.  Note, the Rosuvastatin DDI with 75mg QD was used to fit the BCRP component in Rosuvastatin V21 file using the New GI physiology. The BCRP component of Rosuvastatin was then verified with other BCRP-Inhibitors available on the members area (as specified in the attached document) or within the Simcyp Simulator. Allred, A. J., C. J. Bowen, J. W. Park, B. Peng, D. D. Williams, M. B. Wire, and E. Lee. 2011. “Eltrombopag Increases Plasma Rosuvastatin Exposure in Healthy Volunteers.” Journal Article. Br J Clin Pharmacol 72 (2): 321–29.

Brand Name(s) include: Intelence

Disease: HIV

Drug Class: Non-nucleoside reverse transcriptase inhibitors

Date of Review: 2020

Number of Models Reviewed: 3

Number of Models added to the Repository: 1

The model at-a-glance

Matlab/Simbiology

 Publication

Moltó, J., Rajoli, R., Back, D., Valle, M., Miranda, C., Owen, A., Clotet, B., & Siccardi, M. (2017). Use of a physiologically based pharmacokinetic model to simulate drug-drug interactions between antineoplastic and antiretroviral drugs. The Journal of antimicrobial chemotherapy, 72(3), 805–811.

 Simcyp Version

Not a Simcyp model (Matlab/Simbiology)

 Published Model Application

Simulation of DDIs

 Absorption Model

Compartmental absorption 

 Volume of Distribution Details

Full PBPK

 Route of Elimination

  • CYP3A4 and CYP2C19

 Perpetrator DDI

  • CYP3A4 Induction

 Advantages and Limitations

  • Model developed in healthy volunteers to simulate DDIs between antineoplastic and antiretrovirals.
  • Only verified with one study.

 Model Compound Files

  • None

Matlab/Simbiology

 Publication

Rajoli, R. K., Back, D. J., Rannard, S., Freel Meyers, C. L., Flexner, C., Owen, A., & Siccardi, M. (2015). Physiologically Based Pharmacokinetic Modelling to Inform Development of Intramuscular Long-Acting Nanoformulations for HIV. Clinical pharmacokinetics, 54(6), 639–650.

 Simcyp Version

Not a Simcyp model (Matlab/Simbiology)

 Published Model Application

Long-acting injectable formulation assessment

 Absorption Model

Compartmental and transit model

 Volume of Distribution Details

Full PBPK

 Route of Elimination

  • CYP3A4 and CYP2C19

 Perpetrator DDI

  • CYP3A4 Induction

 Advantages and Limitations

  • Model developed in HIV patients in the fed state
  • Formulation dependent PK

 Model Compound Files

  • None

Version 17

 Publication

Litou, C., Turner, D. B., Holmstock, N., Ceulemans, J., Box, K. J., Kostewicz, E., Kuentz, M., Holm, R., & Dressman, J. (2020). Combining biorelevant in vitro and in silico tools to investigate the in vivo performance of the amorphous solid dispersion formulation of etravirine in the fed state. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 149, 105297.

 Simcyp Version

V17

 Published Model Application

Prediction of Food Effect

 Absorption Model

ADAM

 Volume of Distribution Details

Full PBPK

 Route of Elimination

  • CYP3A4 and CYP2C19
    •  Includes Michaelis–Menten kinetics

 Perpetrator DDI

  • None included

 Advantages and Limitations

  • Model developed to predict PK of drugs with amorphous solid dispersion.
  • Model was verified for single administration in fed state.
  • Model can capture single and multiple dose.
  • Model victim DDI has not been verified

 Model Compound Files

  • v17_res_etravirine_simcyp_litou
Esomeprazole_V14R1_USFDA_20160711
Note: This compound file is for esomeprazole solution, not for delayed release esomeprazole formulations 2. V12R1 compound file built to simulate adult PK. Supplied file is a V14R1 file that has been tested to generate identical results under the condition of mutual interaction with R-omeprazole (Condition 2 in Table II in our publication).

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