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 113 Matches

Entecavir_V15R1_USFDA_20170810

Model Files Publication

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

Search Score: 1

Tenofovir_V18R1_Simcyp_20200212

Model Files Publication

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).

Search Score: 1

5HMT_V12R2_USFDA_20160510

Model Files Publication

Metabolite of fesoterodine. Note/correction: 1. PKa 9.3 instead of 7.6 (in supplemental materials) 2. the intrinsic clearance (CLint) values of CYP3A4 and CYP2D6 should be 0.085 and 1.455 uL/min/pmol enzyme 3. note simulation with ketoconazole, ketoconazole cmp file modified with p-gp inhibition constant (Ki) of 0.015 uM (assumed)

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

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Entecavir_V15R1_USFDA_20170810

Tenofovir_V18R1_Simcyp_20200212

5HMT_V12R2_USFDA_20160510

Emtricitabine

The models at-a-glance

Version 13

Version 17

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