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
PBPK model of Transdermal Selegiline along with its metabolites. Note 1: The workspace is set up to mimic the clinical data reported by Azzaro et al., Journal of Clinical Pharmacology, 2007;47:1256-1267 Pharmacokinetics and Absolute Bioavailability of Selegiline Following Treatment of Healthy Subjects With the Selegiline Transdermal System (6 mg/24 h): A Comparison With Oral Selegiline Capsules. Note 2: A 6 mg/24 h dose corresponds to the release rate from a 20 mg/20 cm2 patch. The EMSAM®, SELEGILINE TRANSDERMAL SYSTEM, drug label from November 2012 states "EMSAM systems are available in three sizes: 20 mg/20 cm2, 30 mg/30 cm2, and 40 mg/40 cm2 that deliver, on average, doses of 6 mg, 9 mg, or 12 mg, respectively, of selegiline over 24 hours."
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
FO, mainly renally excreted. Has been used with HV, pregnancy population and elderly population.
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
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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 |
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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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