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 108 Matches

Tramadol_V14R1_JohnsonandJohnson_20151029

Model Files Publication

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

Search Score: 1

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

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

Indinavir

Model Files Publication

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. Fm_CYP3A4 not verified with clinical data.
Model Compound Files	v18_res_indinavir_simcyp_ke

Search Score: 1

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Tramadol_V14R1_JohnsonandJohnson_20151029

Entecavir_V15R1_USFDA_20170810

Emtricitabine

The models at-a-glance

Version 13

Version 17

Indinavir

The model at-a-glance

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