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 109 Matches

Curcumin_Japanese_V19R1_AstraZeneca_20210726

Model Files Publication

For curcumin, the Japanese population library file from the Simcyp Human Simulator was used, and a sulfotransferase clearance pathway was incorporated as published for the curcumin PBPK model (Physiologically-Based Pharmacokinetic Predictions of the Effect of Curcumin on Metabolism of Imatinib and Bosutinib: In Vitro and In Vivo Disconnect - PubMed (nih.gov)). The curcumin model used in the publication linked is also based on this earlier published model. Fugut=1 represents worst-case scenario DDI while Fugut=0.03 represents assumption that fu,gut = fu,whole blood.

Search Score: 2

Clopidogrel_RES_V21R1_Simcyp_20220720

Model Files Publication

The V21 RES-Clopidogrel model has been developed as an inhibitor of CYP2C8, CYP3A4 and OATP1B1. Compound file and performance summary in V21 are available, as well as a workspace containing the metabolite.

Search Score: 2

Carboxyprimaquine

Model Files Publication

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

Related Files: Primaquine (parent)

The model at-a-glance

Absorption Model	N/A
Volume of Distribution	Full PBPK (Method 2)
Route of Elimination	Formed from primaquine by MAO. This is entered as ‘user-UGT’ as a surrogate within the simulator Pathway of elimination is not defined; elimination is assigned as IV clearance that was manually optimized to fit the clinical data
Perpetrator DDI	None
Validation	Six clinical studies describing single and multiple dose exposure of carboxyprimaquine were used to verify the PBPK model. The AUC for all verification studies were within 1.5-fold of the observed values.
Limitations	Clinical data for carboxyprimaquine is highly variable
Updates in V19	Converted from minimal PBPK model to full PBPK model

Search Score: 2

Cetirizine_V14R1_AstraZeneca_20200327

Model Files Publication

Cetirizine for pediatric predictions.

Search Score: 2

Search the PBPK Model Repository

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Curcumin_Japanese_V19R1_AstraZeneca_20210726

Clopidogrel_RES_V21R1_Simcyp_20220720

Carboxyprimaquine

The model at-a-glance

Cetirizine_V14R1_AstraZeneca_20200327

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