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.
Simcyp developed Methotrexate compound file. Compound summary included. This was developed as a research file and its current status and limitations are outlined in summary document.
The RES-Pitavastatin file was developed as a CYP2C9, UGT1A3/2B7, OATP1B1/1B3/2B1, NTCP substrate This document provides: 1. Examples of model performance 2. A summary of the key pharmacokinetic features of pitavastatin considered within the model.
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
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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. |
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Simcyp Version |
V13 |
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Published Model Application |
Prediction of exposure in pregnancy |
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Absorption Model |
First Order |
| Volume of Distribution Details |
Full PBPK |
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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 |
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. |
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Simcyp Version |
V17 |
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Published Model Application |
Prediction of exposure in renal impairment |
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Absorption Model |
First Order |
| Volume of Distribution Details |
Full PBPK |
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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 |
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. |
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Simcyp Version |
V18 |
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Published Model Application |
Prediction of exposure in renal impairment |
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Absorption Model |
First Order |
| Volume of Distribution Details |
Full (mechanistic kidney model) |
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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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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
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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. |
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Simcyp Version |
V15 |
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Published Model Application |
DDI prediction |
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Absorption Model |
ADAM; includes P-gp in the intestines |
| Volume of Distribution Details |
Full PBPK |
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Route of Elimination |
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Advantages and Limitations |
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Model Compound Files |
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12 |