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 : Malarone (fixed dose combination with atovaquone)
Disease: Malaria, prophylaxis against Plasmodium falciparum in travelers
Drug Class: Antimalarials
Date Updated: March 2022
Related Files: Cycloguanil (metabolite of proguanil), Atovaquone (drug partner in fixed dose combinations)
Absorption Model |
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Volume of Distribution |
Note: Kp scalar used |
Route of Elimination |
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Perpetrator DDI |
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Validation |
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Limitations |
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Updates in V19 |
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Brand Name(s) include: N/A
Disease: Malaria
Drug Class: Antimalarials
Date Updated: March 2022
Related drugs: Proguanil
Absorption Model |
First-Order |
Volume of Distribution |
Full PBPK (Method 2) |
Route of Elimination |
Formed by CYP2C19, CYP3A4; unknown clearance mechanism |
Perpetrator DDI |
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Validation |
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Limitations |
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Updates in V19 |
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Brand Name(s) include: Fuzeon
Disease: HIV
Drug Class: HIV Entry and Fusion Inhibitor
Date of Review: 2020
Number of Models Reviewed: 1
Number of Models added to the Repository: 1
Publication |
Pan, X., Stader, F., Abduljalil, K., Gill, K. L., Johnson, T. N., Gardner, I., & Jamei, M. (2020). Development and Application of a Physiologically-Based Pharmacokinetic Model to Predict the Pharmacokinetics of Therapeutic Proteins from Full-term Neonates to Adolescents. The AAPS journal, 22(4), 76. |
Simcyp Version |
V18 |
Published Model Application |
Prediction of exposure in noenates |
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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Brand Name: Invirase (hard gel); Fortovase (soft gel)
Disease: HIV
Drug Class: protease inhibitor
Version: 21
Date Updated: March 2024
Absorption Model |
First order (different absorption parameters for each formulation) |
Volume of Distribution Details |
Minimal PBPK with Vsac and Q (Method 2) |
Route of Elimination |
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Perpetrator DDI |
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Validation |
The exposure of 1000mg BID saquinavir with 100 mg BID ritonavir regimen for hard gel were reasonably well recovered (3/3 within 2-fold). With the exception of the 1000 mg BID saquinavir with 100 mg BID ritonavir regimen for soft gel, the exposures of ritonavir-boosted regimens were well recovered (4/5 within 1.5-fold). Ten clinical DDI studies where saquinavir (soft gel) was administered with either ritonavir, cimetidine, ketoconazole, rifampin, erythromycin, or rifabutin were used to verify the PBPK model of saquinavir as a victim. In comparison of predicted vs. observed AUC, 80% of the studies were within 2-fold. Two clinical DDI studies where saquinavir (hard gel) was administered with either ritonavir or nelfinavir were used to verify the PBPK model of saquinavir (hard gel) as a victim. In comparison of predicted vs. observed AUC, 50% of the studies were within 2-fold. Three clinical DDI studies where saquinavir was administered with either midazolam or rifabutin were used to verify the PBPK model of rifabutin (soft gel) as a perpetrator. In comparison of predicted vs. observed AUC, 100% of the studies were within 2-fold. |
Limitations |
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14 |