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”.
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Found 84 Matches

Lumefantrine

Model Files Publication

Brand Name(s) include: Coartem (artemether, lumefantrine), Riamet (artemether, lumefantrine)

Disease: Malaria

Drug Class: Antimalarials

Related Files: Artemether – drug partner in fixed dose combinations

Date Updated: December 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution Details	Full PBPK (Method 2) Note: Kp scalar and Kp adipose used
Route of Elimination	CYP3A4 (40%); non-specific hepatic metabolism (60%)
Perpetrator DDI	CYP2D6 Inhibitor
Validation	Two clinical studies describing single dose exposure and two describing multiple dose exposure of lumefantrine were used to verify the PBPK model. The single dose exposures were within 2-fold of observed for both studies. The multiple dose exposures were within 1.25-fold of observed for both studies. Clinical DDI studies with rifampicin and efavirenz in healthy volunteers where lumefantrine was the victim of CYP3A4-mediated DDIs were over-predicted (>2-fold) using the PBPK model. An alternative clinical efavirenz DDI study in HIV patients and a clinical DDI with ritonavir in healthy volunteers were well predicted (within 1.25-fold of observed). As the effect of CYP3A4 inhibition was independently verified and there appeared to be variability in the extent of induction on lumefantrine PK, the fmCYP3A4 of 40% was considered verified.
Limitations	Plasma concentrations of lumefantrine following a single dose are less accurately predicted than those following multiple dose administration. As the Day 7 plasma concentrations following repeat administration of lumefantrine, are more critical (linked to cure rates) than after the first dose, this was deemed acceptable. The model can be used to prospectively predict CYP2D6-mediated DDIs but in the absence of verification of CYP2D6 inhibition, this should be accompanied by appropriate sensitivity analysis.
Updates in V19	Updates in vitro data based on new information B:P ratio 0.6 -> 0.55 CYP2D6 Ki (µM) 2.2 -> 1.8

Search Score: 1

Praziquantel

Model Files Publication

Brand Name(s) include: Biltricide, Cysticide, Praquantel

Indication: Schistosomiasis and clonorchiasis/opisthorchiasis due to the liver flukes

Drug Class: Anthelmintic

Version: 22

Date Updated: February 2024

The model at-a-glance

Absorption Model	ADAM, solid IR dosage form, permeability predicted by Caco-2 data, basolateral permeability scalar incorporated
Volume of Distribution Details	Full model (method 3)
Route of Elimination	fm_CYP3A4= 43.6, fm_CYP1A2 = 41.4, fm_CYP2C19 = 15.0
Perpetrator DDI	Not included
Validation	Model performance was verified in healthy adult volunteers and pediatric schistosomiasis patients. Eight clinical studies in adults (20 to 50 mg/kg PO) and one clinical study in children (20 to 60 mg/kg PO) were used for model verification. Across the adult healthy volunteer studies, eighteen of twenty-five simulated C_max values and twenty-one of twenty-five simulated AUC values were within 2-fold of the observed data. For the pediatric study in schistosomiasis patients, eleven of twelve simulated C_max and AUC values were within 2-fold of the observed data. The fm_CYP3A4was verified through simulations of prazaquantel in the presence versus the absence of ketoconazole and rifampicin.
Limitations	Model was developed using 20 mg/kg and 40 mg/kg PO adult data. Use of 20 to 50 mg/kg PO (healthy adult volunteers) and 20 to 60 mg/kg PO (pediatric schistosomiasis patients) were verified. Utility of the model outside these dose ranges is not confirmed. Model assumes all CYP3A-dependent clearance is mediated by CYP3A4 (i.e., CYP3A5 is not included in the model) Model is not verified for use as victim of CYP1A2 and CYP2C19 interactions

Search Score: 1

Hyperforin_V17R1_UniversityOfSydney_20190131

Model Files Publication

The submitted compound file describes the PBPK model for hyperforin (from St John's wort extract). The PBPK model implements first-order absorption model, full-PBPK (method 2) for its distribution and total CLint in HLM (whole organ metabolic clearance) calculated by the retrograde approach. The model accounts for the induction of CYP3A4, 2C9 and 2C19. It has been verified using the healthy population library available in Simcyp SImulator by default. The predictive performance of this model to predict herb-drug interactions with St John's wort was evaluated across a range of CYP substrates as detailed in the publication. https://link.springer.com/article/10.1007%2Fs40262-019-00736-6

Search Score: 1

Levonorgestrel_RES_V21R1_Simcyp_20220401

Model Files Publication

The V21 RES-Levonorgestrel file has been developed as a substrate of CYP3A4. The file was developed to capture the pharmacokinetics after administration of Levonorgestrel alone or in combination with Ethinyl Estradiol. A workspace and performance summary are available. Levonorgestrel is known to bind to the plasma protein Sex Hormone Binding Globulin and this has been captured in the file by utilising the other protein option in the population.

Search Score: 1

Search the PBPK Model Repository

Searching Tips

Lumefantrine

The model at-a-glance

Praziquantel

The model at-a-glance

Hyperforin_V17R1_UniversityOfSydney_20190131

Levonorgestrel_RES_V21R1_Simcyp_20220401

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