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 49 Matches

Bergamottin_V19R1_AstraZeneca_20210423

Model Files Publication

CYP inhibitor found in grapefruit juice. AstraZeneca file.

Search Score: 1

Oncology_Population_V16R1_AstraZeneca_20190717

Model Files Publication

Oncology population from publication: Physiologically Based Pharmacokinetic Modeling for Olaparib Dosing Recommendations: Bridging Formulations, Drug Interactions, and Patient Populations Pilla Reddy, V., Bui, K., Scarfe, G., Zhou, D., Learoyd, M. (2018). Clinical Pharmacology and Therapeutics. https://doi.org/10.1002/cpt.1103 https://ascpt.onlinelibrary.wiley.com/doi/10.1002/cpt.1103

Search Score: 1

Proguanil

Model Files Publication

Brand Name(s) include : Malarone (fixed dose combination with atovaquone)

Disease: Malaria, prophylaxis against Plasmodium falciparum in travelers

Drug Class: Antimalarials

Date Updated: March 2022

Related Files: Cycloguanil (metabolite of proguanil), Atovaquone (drug partner in fixed dose combinations)

Model at-a-glance

Absorption Model	First-Order
Volume of Distribution	Full PBPK (Method 2) Note: Kp scalar used
Route of Elimination	CYP2C19, CYP3A4, renal clearance
Perpetrator DDI	CYP2D6 Inhibitor
Validation	Proguanil and cycloguanil files were built using in vitro and clinical (Jeppersen et al., 1997) data 3 clinical studies describing single and multiple dose exposure of proguanil were used to verify the PBPK model. 66% of studies were within 2-fold, of which 33% were within 1.5-fold. A clinical DDI study where proguanil was the victim of a CYP2C19-mediated DDI was accurately recovered using the PBPK model.
Limitations	Prediction of proguanil exposure was complicated by not knowing the polymorphism classification of subjects in each study, hence the model performance was deemed acceptable using the criteria of being within 2-fold of observed. Verification needed for perpetrator DDI assessment as literature data is unavailable at this time With a large CL_Rcomponent and chemical relation to metformin, we hypothesise that proguanil may be a substrate for active transport in the kidney. However, owing to a lack of mechanistic information relating to active transport this cannot be built into the model.
Updates in V19	Modification of fm values Model converted from minimal to full PBPK distribution model Updated CYP2D6 IC50

Search Score: 1

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

Search the PBPK Model Repository

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Bergamottin_V19R1_AstraZeneca_20210423

Oncology_Population_V16R1_AstraZeneca_20190717

Proguanil

Model at-a-glance

Azithromycin

The model at-a-glance

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