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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 84 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: 2

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: 2

Enfuviridine

Model Files Publication

Brand Name(s) include: Fuzeon

Disease: HIV

Drug Class: HIV Entry and Fusion Inhibitor

Date of Review: 2020

Number of Models Reviewed: 1

Number of Models added to the Repository: 1

The model at-a-glance

Publication	Pan, X., Stader, F., Abduljalil, K., Gill, K. L., Johnson, T. N., Gardner, I., & Jamei, M. (2020). Development and Application of a Physiologically-Based Pharmacokinetic Model to Predict the Pharmacokinetics of Therapeutic Proteins from Full-term Neonates to Adolescents. The AAPS journal, 22(4), 76.
Simcyp Version	V18
Published Model Application	Prediction of exposure in noenates
Absorption Model	First Order
Volume of Distribution Details	Full PBPK
Route of Elimination	Renal filtration Additional systemic clearance
Perpetrator DDI	None
Advantages and Limitations	Model was developed to predict the PK of enfuviridine in neonates and adolescents. Model was verified in adult and pediatric populations. Model was verified for IV and subcutaneous dosing. Model was developed in V18. Due to changes in the Simulator, the model would need to be revalidated for use in V20 and subsequent versions.
Model Compound Files	v18_res_enfuviridine_simcyp_pan v18_res_enfuviridine_simcyp_pan_sc_paed

Search Score: 2

Emtricitabine_V18R1_Simcyp_20200212

Model Files Publication

https://www.ncbi.nlm.nih.gov/pubmed/31602556 FO, mainly renally excreted. Has been used for HV, Pregnancy population and elderly population.

Search Score: 2

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Entecavir_V15R1_USFDA_20170810

Emtricitabine

The models at-a-glance

Version 13

Version 17

Enfuviridine

The model at-a-glance

Emtricitabine_V18R1_Simcyp_20200212

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