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

Steve B

Model Files Publication

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testing again

Search Score: 1

Pyronaridine

Model Files Publication

Brand Name(s) include: Pyramax

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

Related files: Artesunate (fixed dose combination – Pyramax)

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 3) Note: Kp scalar used
Route of Elimination	CYP1A2, CYP2B6, CYP2C8, CYP2D6 and CYP3A4
Perpetrator DDI	CYP2D6 Inhibitor P-gp Inhibitor
Validation	Two clinical studies describing pyronaridine exposure were available for model verification. 100% of predicted Cmax were within 1.5-fold of those observed whereas 40% of AUC were predicted within 1.5-fold of observed. This can be explained as observed exposure at 9mg/kg dose was lower than at 6 mg/kg. The model recovered the observed data at the 6 mg/kg dose but then over predicted that at the higher dose.
Limitations	One challenge in the verification of the model is the diverse ethnicities of subjects in reported clinical data and how best to reflect this in simulations. In the absence of virtual Korean populations within the Simulator, the Caucasian population was modified in terms of bodyweight. In the absence of supporting information, no changes to enzyme abundance (pmol/mg) were made to the population, although changes to liver weight (as a function of body weight) and hence total CYP abundance were propagated into the model.
Updates in V19	Switched to Method 3 to facilitate like for like comparisons for covid- 19 repurposing strategies

Search Score: 1

Oseltamivir_Carboxylate_V12R1_USFDA_20150709

Model Files Publication

Metabolite of oseltamivir. Information can be found in Table 1 and supplemental file of the publication. Table 1. also in supplemental file. Correction: Molecular weight should be 284 g/mol (in cmp file). Table 1 mistakenly listed MW of prodrug oseltamivir. Correction will be submitted to journal. The submitted cmp file has custom dosing. Oral dosing should be selected and dose should be adjusted according to MW differences between OC and prodrug oseltamivir to allow OC PK to be simulated when prodrug is given intravenously.

Search Score: 1

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

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Steve B

Pyronaridine

The model at-a-glance

Oseltamivir_Carboxylate_V12R1_USFDA_20150709

Curcumin_Japanese_V19R1_AstraZeneca_20210726

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