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.

To contribute published user compound and/or population files, upload your files here: Upload Model Files

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Found 94 Matches

Sulfadoxine

Model Files Publication

Brand Name(s) include: Fansidar

Disease: Malaria

Drug Class: Sulfonamide

Date Updated: March 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Minimal PBPK (User input Vss)
Route of Elimination	Renal clearance (90%); non-specific hepatic metabolism (10%)
Perpetrator DDI	None
Validation	Four clinical studies describing single and multiple dose exposure of sulfadoxine were used to verify the PBPK model. In comparison of predicted vs. observed AUC, 100% of the studies were within 2-fold and 75% were within 1.5-fold.
Limitations	In the absence of adequate data on the metabolism and excretion of sulfadoxine, it was assumed that 90% was cleared renally and 10% was metabolized by the liver.
Updates in V19	Updated in vitrodata LogP: 4.22 -> 0.54

Search Score: 1

Capmatinib_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 Capmatinib. Note: The fuGut in the inhibitor file is set as user input to 1. A minimal PBPK model with VSAC is used. Link to the publication with further details: http://doi.org/10.1002/psp4.12672

Search Score: 1

Ertugliflozin_V15R1_Pfizer_20220726

Model Files Publication

Ertugliflozin compound file, UGT1A9 and UGT2B4/7 substrate. Model developed and verified using ADME, IV PK and SD/MD clinical data. Simulated DDI with UGT inhibitor mefenamic acid. https://ascpt.onlinelibrary.wiley.com/doi/full/10.1002/psp4.12581

Search Score: 1

Probenecid_V12R1_FDA_20150709

Model Files Publication

Supplemental table. Ki against OAT transporters can be changed (sensitivity analysis was conducted in the referenced publication to explore "in vivo" Ki).

Search Score: 1

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Sulfadoxine

The model at-a-glance

Capmatinib_V19R1_Pfizer_20210804

Ertugliflozin_V15R1_Pfizer_20220726

Probenecid_V12R1_FDA_20150709

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