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 155 Matches

Hyperforin_V17R1_UniversityOfSydney_20190131
The submitted compound file describes the PBPK model for hyperforin (from St John's wort extract). The PBPK model implements first-order absorption model, full-PBPK (method 2) for its distribution and total CLint in HLM (whole organ metabolic clearance) calculated by the retrograde approach. The model accounts for the induction of CYP3A4, 2C9 and 2C19. It has been verified using the healthy population library available in Simcyp SImulator by default. The predictive performance of this model to predict herb-drug interactions with St John's wort was evaluated across a range of CYP substrates as detailed in the publication. https://link.springer.com/article/10.1007%2Fs40262-019-00736-6
Rofecoxib_V18R1_LongIslandUniversity_20210119
This is a compound file for rofecoxib - a mechanism based inhibitor of CYP1A2. The input values for the Rofecoxib PBPK model are listed in table 2 of the publication. The file uses a User input for fa and ka with a CV of 30% for each, a predicted fugut of 0.066 and a predicted Qgut of 16.271 L/h. Competitive CYP1A2 Inhibition with a Ki of 2.25 µM and fumic of 0.88 is also included in the file.
Simcyp_Theophylline_V21R1_Simcyp_20220614
Theophylline Pharmacokinetics Using Virtual Non-Pregnant, Pregnant, Fetal, Breast-Feeding, and Neonatal Populations
R-Omeprazole_V12R2_USFDA_20160714
Note: 1. fup was reported as 0.04 in our publication (http://www.ncbi.nlm.nih.gov/pubmed/24590877) without changing the cmp file (fup=0.043). 2. The compound file was developed for R-omeprazole solution 3. We also have converted V14R1 file that has been tested to generate identical results under the condition of mutual interaction with esomeprazole (Condition 2 in Table II in our publication).

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