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.>
You can use a suffix operator (*) as the placeholder for end of a term. The query must start with at least one alphanumeric character before the suffix operator. E.g., Rifam* will get you “Rifampicin” and “Rifampin”. For more advanced searching tips click here.
Brand Name(s) include: Epivir
Disease: HIV
Drug Class: Nucleoside reverse transcriptase inhibitor
Date of Review: 2020
Number of Models Reviewed: 3
Number of Models added to the Repository: 3
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 |
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Perpetrator DDI |
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Advantages and Limitations |
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Model Compound Files |
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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 |
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Perpetrator DDI |
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Advantages and Limitations |
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Model Compound Files |
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Publication |
Shah, K., Fischetti, B., Cha, A., & Taft, D. R. (2020). Using PBPK Modeling to Predict Drug Exposure and Support Dosage Adjustments in Patients With Renal Impairment: An Example with Lamivudine. Current drug discovery technologies, 17(3), 387–396. |
Simcyp Version |
V18 |
Published Model Application |
Prediction of exposure in renal impairment |
Absorption Model |
First Order |
Volume of Distribution Details |
Full (mechanistic kidney model) |
Route of Elimination |
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Perpetrator DDI |
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Advantages and Limitations |
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Model Compound Files |
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Brand Name(s) include: Selzentry
Disease: HIV
Drug Class: HIV Entry and Fusion Inhibitor
Date of Review: 2020
Number of Models Reviewed: 3
Number of Models added to the Repository: 1
Publication |
Kimoto, E., Vourvahis, M., Scialis, R. J., Eng, H., Rodrigues, A. D., & Varma, M. V. S. (2019). Mechanistic Evaluation of the Complex Drug-Drug Interactions of Maraviroc: Contribution of Cytochrome P450 3A, P-Glycoprotein and Organic Anion Transporting Polypeptide 1B1. Drug metabolism and disposition: the biological fate of chemicals, 47(5), 493–503. |
Simcyp Version |
V15 |
Published Model Application |
DDI prediction |
Absorption Model |
ADAM; includes P-gp in the intestines |
Volume of Distribution Details |
Full PBPK |
Route of Elimination |
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Advantages and Limitations |
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Model Compound Files |
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Brand Name(s) include: Prezista, Prezcobix, Rezolsta
Disease: HIV
Drug Class: Antiretroviral
Date of Review: 2020
Number of Models Reviewed: 2
Number of Models added to the Repository: 2
Publication – MODEL 1 |
Wagner et al., Physiologically-Based Pharmacokinetic Modeling for Predicting the Effect of Intrinsic and Extrinsic Factors on Darunavir or Lopinavir Exposure Co-administered with Ritonavir. J Clin Pharmacol. 2017 October ; 57(10): 1295–1304. (FDA model) |
Simcyp Version |
V13 |
Published Model Application |
Prediction of exposure in hepatic impairment |
Absorption Model |
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Volume of Distribution Details |
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Route of Elimination |
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Perpetrator DDI |
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Advantages and Limitations |
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Model Compound Files |
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Publication – MODEL 2 |
Colbers, A., Greupink, R., Litjens, C., Burger, D., & Russel, F. G. (2016). Physiologically Based Modelling of Darunavir/Ritonavir Pharmacokinetics During Pregnancy. Clinical pharmacokinetics, 55(3), 381–396. |
Simcyp Version |
V13 |
Published Model Application |
Prediction of exposure in pregnancy |
Absorption Model |
|
Volume of Distribution Details |
|
Route of Elimination |
|
Perpetrator DDI |
|
Advantages and Limitations |
|
Model Compound Files |
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Brand Name: Tivicay
Disease: HIV
Drug Class: HIV integrase inhibitor
Version: 21
Date Updated: March 2023
Absorption Model |
ADAM (precipitation with solution) |
Volume of Distribution Details |
Full PBPK (Method 3) |
Route of Elimination |
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Perpetrator DDI |
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Validation |
Model can recover positive food effect for single and multiple dose. The UGT1A1 fm was verified against UGT1A1 genotype study and with rifampin and atazanavir DDI studies. The fm of CYP3A4 was verified against nevirapine, rifabutin, rifampin, atazanavir, efavirenz, and carbamazepine. One clinical study in which dolutegravir was administered with metformin was used to verify the Ki of OCT2 and MATE. Nine clinical DDI studies where dolutegravir was administered with either nevirapine, rifampicin, rifabutin, ritonavir, atazanavir, efavirenz, and carbamazepine were used to verify the PBPK model. In comparison of predicted vs. observed AUC, 100% of the studies were 2-fold and 67% were within 1.25-fold. |
Limitations |
DDI with efavirenz and carbamazepine are underpredicted, likely because efavirenz and carbamazepine are inducers of UGT1A1 which is not considered in the current efavirenz and carbamazepine compound files. |
10 |