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” .
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Found 127 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: 1

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: 1

Velpatasvir_RES_V21R1_Simcyp_20230615

Model Files Publication

Prepared: June 2023 The RES-Velpatasvir_V21 model has been developed primarily as inhibitor of hepatic OATP1B1 and OATP1B3, and intestinal BCRP using the New GI physiology in Simcyp V21 with altered GI tract population inputs that became default in V22. There are limited PK and DDI studies available for Velpatasvir and it is generally used in a fixed dose combination using 100 mg Velpatasvir. Thus, the Velpatasvir file is a Fit-for-purpose PBPK model for 50 mg to 100 mg QD. The Rosuvastatin DDI is a 100 mg QD study. Example workspaces for Velpatasvir PK and the DDI with Rosuvastatin are attached. The BCRP component of Rosuvastatin (V21 using the New GI physiology) was optimised using Eltrombopag and then verified with other BCRP-Inhibitors available on the members area or within the Simcyp Simulator, see attached ‘BCRP-Inhibitor V21’ document for details.

Search Score: 1

Darunavir PBPK Model Review 2020

Model Files Publication

Darunavir_PBPK_Model_review_2020

Search Score: 1

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Curcumin_Japanese_V19R1_AstraZeneca_20210726

Clopidogrel_RES_V21R1_Simcyp_20220720

Velpatasvir_RES_V21R1_Simcyp_20230615

Darunavir PBPK Model Review 2020

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