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 106 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

Methotrexate_RES_V17R1_Simcyp_20180228

Model Files Publication

Simcyp developed Methotrexate compound file. Compound summary included. This was developed as a research file and its current status and limitations are outlined in summary document.

Search Score: 1

Benzylpenicillin_RES_V20R1_Simcyp_20210512

Model Files Publication

The RES-Benzylpenicillin file was primarily developed as a substrate of renal OAT3 transport. This document provides: 1. Examples of model performance 2. A summary of the key pharmacokinetic features of benzylpenicillin considered within the model.

Search Score: 1

Dihydroartemisinin (DHA) from Artesunate

Model Files Publication

Brand Name(s) include: Camoquin (FDC with amodiaquine)

Disease: Malaria

Drug Class: Antimalarials

Related Drugs: DHA, Amodiaquine

Date Updated: March 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: Kp scalar used
Route of Elimination	UGT1A9 (50%); UGT2B7(50%)
Perpetrator DDI	CYP1A2 Inhibitor
Validation	One clinical study describing single dose exposure of DHA was used to verify the PBPK model. 100% of studies were within 2-fold, of which 100% were within 1.5-fold.
Limitations	The absorption model does not consider the formation of ‘DHA from artesunate’ mechanistically. Instead, an optimized ka and fa were applied to the DHA model to describe the observed plasma concentration-time curve of DHA. The remainder of the DHA model was identical to the DHA model which is described above. The model does not account for the differences in plasma fraction unbound observed in patients compared to healthy volunteers. Verification needed for perpetrator DDI assessment as literature data is unavailable at this time.
Updates in V19	Updated in vitro data Propranolol Papp: 30 cm/s x 106 Converted model to full PBPK with Vss predicted through Method 2 Updated retrograde clearance

Search Score: 1

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Curcumin_Japanese_V19R1_AstraZeneca_20210726

Methotrexate_RES_V17R1_Simcyp_20180228

Benzylpenicillin_RES_V20R1_Simcyp_20210512

Dihydroartemisinin (DHA) from Artesunate

The model at-a-glance

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