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 65 Matches

Morphine&Morphine-3-Glucuronide_V18R1_UniversityOfNorthCarolina_20201005

Model Files Publication

The submitted workspace file is for Morphine and Morphine-3-glucuronide compound files, with a full PBPK distribution model, ADAM and permeability-limited liver. The model also includes enterohepatic recycling and cleavage of the glucuronide in the gut lumen. The Sim-Healthy Volunteers population library was modified with regards to the relative enzyme abundance of luminal deglucuronidation. The setting in the workspace reflects the trial design from Stuart-Harris et al., 2000. Stuart-Harris R, Joel SP, McDonald P, Currow D, Slevin ML. The pharmacokinetics of morphine and morphine glucuronide metabolites after subcutaneous bolus injection and subcutaneous infusion of morphine. Br J Clin Pharmacol 49 207-214. (2000)

Search Score: 2

Ganciclovir_V15R1_USFDA_20170810

Model Files Publication

http://onlinelibrary.wiley.com/doi/10.1002/cpt.750/full Ganciclovir compound file in healthy volunteers. Evaluation of the effect of renal impairment on the PK of OAT substrates. NOTE: Kp scaler in model should be 0.33, different from Table 1.

Search Score: 2

Azithromycin

Model Files Publication

Brand Name(s) include: Zithromax

Disease: Malaria

Drug Class: Marcolide Antibiotic

Date Updated: March 2021

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: A Kp scalar (0.04) was used in the model
Route of Elimination	No metabolism; a biliary CLint was input based on clinical data
Perpetrator DDI	None
Validation	Two clinical studies describing single and multiple dose exposure of atovaquone were used to verify the PBPK model. 100% of studies were within 1.5-fold.
Limitations	There are some data to suggest atovaquone is an inhibitor of BCRP. This is currently not included within the model.
Updates in V19	Updated in vitrodata LogP: 5.8 -> 8.4 Caco-2 P_app > 300 x 10-6 cm/s Propranolol Papp 101 x 10-6 cm/s Optimized ka and t_lag Converted from minimal PBPK model to full PBPK model

Search Score: 1

Tafenoquine

Model Files Publication

Brand Name(s) include: Arakoda, Krintafel

Disease: Malaria

Drug Class: Antimalarials

Date Updated: March 2022

The model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 3) Note: Kp scalar used
Route of Elimination	Undefined liver intrinsic clearance
Perpetrator DDI	CYP2C9 Inhibitor CYP3A4 Inhibitor
Validation	Four clinical studies describing single and multiple dose exposure of tafenoquine were used to verify the PBPK model, although some of these provided PK profiles and no PK parameters and vice versa. Of the clinical studies describing PK parameters, the model recovered 100% of the observed PK parameters within 1.5-fold (66% within 0.8-1.25-fold) and hence the model is considered predictive.
Limitations	Tafenoquine is administered with food to increase its exposure and minimize gastrointestinal side effects. The PBPK model was therefore developed to recover the PK of tafenoquine in the fed state. It should be noted that in the absence of information defining the fm of drug metabolizing enzymes, an undefined liver intrinsic clearance is used in the model and hence the model is not able to simulate the liability of tafenoquine as a victim of DDIs.

Search Score: 1

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Morphine&Morphine-3-Glucuronide_V18R1_UniversityOfNorthCarolina_20201005

Ganciclovir_V15R1_USFDA_20170810

Azithromycin

The model at-a-glance

Tafenoquine

The model at-a-glance

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