Search the PBPK Model Repository

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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Found 115 Matches

Cefuroxime_V12R1_FDA_20150709
Model Files Publication
Table 1 of main paper and further discussion in supplemental file. IV only. Key feature is the use of mechanistic kidney model to simulate the effect of severe renal impairment and probenecid inhibition.
Search Score: 1
FostamatinibMetR406_V19R1_Pfizer_20210804
Model Files Publication
An optimized Rosuvastatin (V19) model was used and DDIs predominantly driven by gut BCRP inhibition are reasonably recovered. Altogether, the following inhibitors were used: Capmatinib Fenebrutinib Fostamatinib Itraconazole Zepatier The workspace represents the DDI between Rosuvastatin and Fostamatinib metabolite R406. Link to the publication with further details: http://doi.org/10.1002/psp4.12672
Search Score: 1
Selegiline&Metabolites_V18R2_Simcyp_Transdermal_20201007
Model Files Publication
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."
Search Score: 1
Pyrimethamine
Model Files Publication

Brand Name(s) include: Daraprim

Disease: Malaria

Drug Class: Antimalarials

Date Updated: November 2021

Model at-a-glance

  Absorption Model
  • First-Order

  Volume of Distribution 
  • Full PBPK (Method 2) 

Note: Kp scalar used

  Route of Elimination
  • Non-specific hepatic metabolism (metabolizing enzymes not known)

  Perpetrator DDI
  • OCT1 and OCT2 inhibitor

  Validation

  • Three clinical studies were available for model verification.  100% of simulated Cmax and AUC were within 1.5-fold of observed and hence the model performance was deemed acceptable.

  Limitations
  • The current model does not describe enzyme specific metabolism of pyrimethamine as there are no data for specific routes of metabolism.​

The current model does not mechanistically describe the absorption of pyrimethamine as the ADAM model over-predicts the extent of absorption. Although pyrimethamine is described as well absorbed in some literature, further analysis of the IV and PO data did not support this. 

  Updates in V19
  • Updated in vitro­ data
    • fup: 0.085 -> 0.095

 

Search Score: 1

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