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 99 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
Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20220209
PBPK model of Hydroxychloroquine and its metabolite of Desethyl-hydroxychloroquine. This file is a further development of the file for Hydroxychloroquine (V18R1) also available within this database: In Vitro Antiviral Activity and Projection of Optimized Dosing Design of Hydroxychloroquine for the Treatment of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) - PubMed (nih.gov)
Chloroquine_V18R2_PekingUniversityThirdHospital_20200317
A perfusion limited full PBPK model of chloroquine published in Clin Inf Dis in 2020, the model includes an additional organ that can be used to represent lung tissue accumulation of the drug. Please note a custom dosing for 66 days has been included in the file.
ValproicAcid_V21R1_NationalTaiwanUniversity_20231012

Three compound files for adults and 3 files for paediatrics are available for the parent compounds, Valproic Acid, reflecting the inputs required for EC tablets, tablets, and capsules, respectively. A compound file for the metabolite, 4-ene-Valproid Acid is available too. Details on the model assumptions and verification in V21R1 are available in the corresponding reference (DOI: 10.1002/psp4.13045) and supplement material on the journal (CPT: Pharmacometrics & Systems Pharmacology) website.

Physiologically based mechanistic insight into differential risk of valproate hepatotoxicity between children and adults: A focus on ontogeny impact - PubMed (nih.gov)

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