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
http://dmd.aspetjournals.org/content/47/5/493.long Maraviroc and Telaprevir/healthy volunteer. The workspace is set up as multiple dose over 10 days to account for the MBI of Telaprevir. The metabolite of Telaprevir (VRT-127394) is included in the workspace.
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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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 submitted workspace file is for Morphine and Morphine-3-glucuronide compound files, with a full PBPK distribution model, ADAM and permeability-limited liver. The model also includes enterohepatic recycling and cleavage of the glucuronide in the gut lumen. The Sim-Healthy Volunteers population library was modified with regards to the relative enzyme abundance of luminal deglucuronidation. The setting in the workspace reflects the trial design from Stuart-Harris et al., 2000. Stuart-Harris R, Joel SP, McDonald P, Currow D, Slevin ML. The pharmacokinetics of morphine and morphine glucuronide metabolites after subcutaneous bolus injection and subcutaneous infusion of morphine. Br J Clin Pharmacol 49 207-214. (2000)
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2 |