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 108 Matches

Simvastatin_Acid_Lactone_RES_V23R2_Simcyp_20241122

Model Files Publication

The RES-Simvastatin lactone and RES-Simvastatin acid models within the Simcyp Compound Repository have been developed as substrates of CYP3A4, CYP2C8, BCRP (simvastatin lactone), CES1 (simvastatin lactone) and OATP1B1 (simvastatin acid). Additionally, the models account for the interconversion between the lactone and acid forms in the acidic environment of the stomach. Note: Before running a simulation, modify the population to account for gastric luminalmetabolism. To do this, follow these steps:

Go to Population > GI Tract > LuminalMetabolism> Compound > Expression
Set the relative activity to 0 for all GI segments except the stomach

This document provides:

Examples of model performance
A summary of the key pharmacokinetic features of simvastatin lactone and simvastatin acid considered within the model

Search Score: 1

Risperidone_V12R2_USFDA_20160511

Model Files Publication

Search Score: 1

Cabozantinib_RES_V22_Simcyp_250101

Model Files Publication

Prepared: January, 2025
The cabozantinib model has a status of a research compound file. The model has been developed as a substrate of CYP3A4. The PBPK model was designed to recover pharmacokinetics of cabozantinib following single or multiple dose administration of cabozantinib.

This document provides:
1. Examples of model performance following oral administration of cabozantinib.
2. A summary of the key pharmacokinetic features of cabozantinib considered within the model.

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

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Simvastatin_Acid_Lactone_RES_V23R2_Simcyp_20241122

Risperidone_V12R2_USFDA_20160511

Cabozantinib_RES_V22_Simcyp_250101

Pyronaridine

The model at-a-glance

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