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.
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Simcyp developed Docetaxel compound file. Compound summary document included. This was developed as a research file and its current status and limitations are outlined in summary document.
Simcyp developed dolutegravir compound file. Compound summary including an outline on the current status and limitations included.
The RES-Dolutegravir model has been developed primarily as a UGT1A1 and CYP3A4 substrate, and as an inhibitor of renal MATE1 and OCT2 transporters. MATE1 and OCT2 inhibition parameters have been optimized to capture impact of dolutegravir on metformin pharmacokinetics but have not been independently verified. In vitro observed inhibition of MATE2-K by dolutegravir has not been included as the parameter could not be optimized and verified with the substrate models and clinical data available at the time of dolutegravir model development.
Brand Name: Edurant, Rekambys
Disease: HIV
Drug Class: non-nucleoside reverse transcriptase inhibitor
Version: 21
Date Updated: March 2024
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Absorption Model |
First order |
| Volume of Distribution Details |
Full PBPK (Method 3) |
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Route of Elimination |
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Perpetrator DDI |
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Validation |
The refined model was able to recover clinically observed concentration-time profiles of rilpivirine following single and multiple dosing. Seven clinical DDI studies where rilpivirine was administered with either efavirenz, ketoconazole, rifampin, or rifabutin were used to verify the PBPK model of rilpivirine as a victim. In comparison of predicted vs. observed AUC, 85.7% of the studies were within 1.5-fold. Three clinical DDI studies where rilpivirine was administered with either sildenafil, ethinylestradiol, or midazolam were used to verify the PBPK model of rilpivirine as a perpetrator. In comparison of predicted vs. observed AUC, 100% of the studies were within 1.25-fold. |
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Limitations |
The net in vivo effect of rilpivirine as either an inhibitor or an inducer of CYP3A appears to be negligible based on the available DDI studies |
Brand Name(s) include: Viread
Disease: HIV
Drug Class: Nucleoside Reverse Transcriptase Inhibitors (NRTI)
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., 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 19, 339–350 (2019). |
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Simcyp Version |
V17 |
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Absorption 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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Publication |
Liu S N, Desta Z, Gufford B T. Probenecid‐Boosted Tenofovir: A Physiologically‐Based Pharmacokinetic Model‐Informed Strategy for On‐Demand HIV Preexposure Prophylaxis[J]. CPT: pharmacometrics& systems pharmacology, 2020, 9(1): 40- 47. |
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Simcyp Version |
V15 |
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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 |
De Sousa Mendes M, Hirt D, Urien S, Valade E, Bouazza N, Foissac F, Blanche S, Treluyer JM, Benaboud S. Physiologically-based pharmacokinetic modeling of renally excreted antiretroviral drugs in pregnant women. Br J Clin Pharmacol. 2015 Nov;80(5):1031-41. |
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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 |
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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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10 |