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 155 Matches

Apixaban_V18R2_Astellas_20230704

https://pubmed.ncbi.nlm.nih.gov/33030266/

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 

Emtricitabine

Brand Name(s) include: Emtriva, Truvada

Disease: HIV

Drug Class: Nucleoside reverse transcriptase inhibitor

Date of Review: 2020

Number of Models Reviewed: 2

Number of Models added to the Repository: 2

The models at-a-glance

 

  Publication

 De Sousa Mendes, M., Hirt, D., Urien, S., Valade, E., Bouazza, N., Foissac, F., Blanche, S., Treluyer, J. M., & Benaboud, S. (2015). Physiologically-based pharmacokinetic modeling of renally excreted antiretroviral drugs in pregnant women. British journal of clinical pharmacology, 80(5), 1031–1041.

  Simcyp Version

  V13

 Published Model Application

  Prediction of exposure in pregnancy

 Absorption Model

 First Order

 Volume of Distribution Details

 Full PBPK

 Route of Elimination

  • Renal Elimination
  • Includes uptake by OCT2 and efflux by MRP4 in the kidney

  Perpetrator DDI

  • None 

 Advantages and Limitations

  • Model developed in healthy volunteers and verified in pregnant women.
  • Renal transporters not verified with clinical data

 Model Compound Files

  • v13_res_emtricitabine_simcyp_mendex2015

 

BREAK

Publication

De Sousa Mendes M, Chetty M. Are Standard Doses of Renally-Excreted Antiretrovirals in Older Patients Appropriate: A PBPK Study Comparing Exposures in the Elderly Population With Those in Renal Impairment. Drugs R D. 2019 Dec;19(4):339-350.

Simcyp Version

 V17

Published Model Application

Prediction of exposure in renal impairment

Absorption Model

First-order

Volume of Distribution Details

Full

Route of Elimination

  •    Renal Elimination
  •    Additional non-specific clearance

Perpetrator DDI

  •  None

Advantages and Limitations

  •  Model developed to extrapolate elderly populations and renally impaired populations.
  •  Model was verified in the elderly and young population

 

Model Compound Files

  • v17_res_emtricitabine_simcyp_mendex2019.cmpz

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

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