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 107 Matches

EsomeprazoleCapsule_V14R1_AstraZeneca_20200427

Model Files Publication

https://ascpt.onlinelibrary.wiley.com/doi/full/10.1002/cpt.905 Esomeprazole adult compound file for pediatric prediction. The following parameters need to be updated, as compared to Table 2 in the manuscript: Ka=1.331/h, tlag=1h, fu,gut=0.048

Search Score: 1

Tafenoquine

Model Files Publication

Brand Name(s) include: Arakoda, Krintafel

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 3) Note: Kp scalar used
Route of Elimination	Undefined liver intrinsic clearance
Perpetrator DDI	CYP2C9 Inhibitor CYP3A4 Inhibitor
Validation	Four clinical studies describing single and multiple dose exposure of tafenoquine were used to verify the PBPK model, although some of these provided PK profiles and no PK parameters and vice versa. Of the clinical studies describing PK parameters, the model recovered 100% of the observed PK parameters within 1.5-fold (66% within 0.8-1.25-fold) and hence the model is considered predictive.
Limitations	Tafenoquine is administered with food to increase its exposure and minimize gastrointestinal side effects. The PBPK model was therefore developed to recover the PK of tafenoquine in the fed state. It should be noted that in the absence of information defining the fm of drug metabolizing enzymes, an undefined liver intrinsic clearance is used in the model and hence the model is not able to simulate the liability of tafenoquine as a victim of DDIs.

Search Score: 1

Emtricitabine

Model Files Publication

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

Version 13

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

Version 17

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 PBPK
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

Search Score: 1

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: 1

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EsomeprazoleCapsule_V14R1_AstraZeneca_20200427

Tafenoquine

The model at-a-glance

Emtricitabine

The models at-a-glance

Version 13

Version 17

Zepatier_V19R1_Pfizer_20210804

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