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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You can use a * character as a wildcard at the end of a alphanumeric search term. The search term must start with at least one character before the wildcard. E.g., Rifam* will get you “Rifampicin” and “Rifampin”.
You can also use a * character as a wildcard in the middle of a alphanumeric search term. The search term must still start with at least one character before the wildcard. E.g., Rif*in will also get you “Rifampicin” and “Rifampin” .
You can also use a * character as a wildcard at the start of a alphanumeric search term. However you must use forward slashes to delimit the search term and use a point before the wildcard. E.g., /.*picin/ will only get you “Rifampicin”.

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Found 93 Matches

Doxycycline

Model Files Publication

Brand Name(s) include: Adoxa, Doryx, Monodox, Oracea, Periostat, Vibramycin, Vibra-tabs

Disease: Malaria

Drug Class: Antibiotic

Date Updated: June 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: A Kp scalar (0.3) was used in the model
Route of Elimination	Biliary = 66%; Renal= 44%
Perpetrator DDI	None
Validation	Seven clinical studies describing single and multiple dose exposure of doxycycline were used to verify the PBPK model. The model predicted AUC values in 86% of studies within 2-fold (100% if one simulated/observed ratio is rounded down from 1.52 to 1.5), of which 57% were within 1.5-fold.
Limitations	Model is not verified at doses below 100 mg or about 200 mg (dose-linearity of doxycycline is uncertain) Model assumes hyclate, monohydrate and hydrochloride formulations are bioequivalent Model is not developed for the prediction of IV doxycycline Model was developed and verified primarily in healthy volunteer studies (except Newton et al. 2005); appropriateness of extrapolation to acute malaria patients is unknown
Updates in V19	Updated in vitrodata fu: 0.142 -> 0.23 B:P: 1.5 -> 0.78 Converted from minimal PBPK model to full PBPK model Elimination changed from user input IV clearance to retrograde clearance with biliary clearance and additional hepatic clearance

Search Score: 1

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

Search the PBPK Model Repository

Searching Tips

Doxycycline

The model at-a-glance

Sulfadoxine

The model at-a-glance

Capmatinib_V19R1_Pfizer_20210804

Ertugliflozin_V15R1_Pfizer_20220726

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