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 84 Matches

Piperaquine

Model Files Publication

Brand Name(s) include: Eurartesim

Disease: Malaria

Drug Class: Antimalarials

Date Updated: January 2022

Related Files: DHA (partner in fixed dose combination)

The model at-a-glance

Absorption Model	First-Order (dose and food-dependent fa – saved in different models)
Volume of Distribution	Full PBPK (Method 2) Notes: Includes a Kp scalar and Kpadipose
Route of Elimination	CYP3A4 (80%), CYP2C9 (10%), CYP2C19 (10%)
Perpetrator DDI	CYP3A4 Inhibitor
Validation	Two clinical studies with fasted and fed groups at varying dose levels describing single and multiple dose exposure of piperaquine were used to verify the PBPK model. All of the simulated studies were within 1.5-fold of the observed values. A clinical DDI study where piperaquine was the victim of a CYP3A4-mediated DDI was accurately recovered using the PBPK model as well as a CYP3A4 perpetrator DDI with the sensitive substrate midazolam.
Limitations	Requires separate files for low and high dose due to dose-dependant fa Cmax overprediction, likely due to formulation differences Additional verification for DDIs would be ideal although studies are currently not available in literature
Updates in V19	Updated in vitrodata LogP Converted model to full PBPK with Vss predicted through Method 2

Search Score: 1

CrohnsDiseasePopulation_V19R1_UniversityOfManchester_20230322

Model Files Publication

This model is a Crohn's disease (CD) population model for adult patients, created in Simcyp version 19. Alteration of GIT parameters and other physiological parameters like albumin level incorporated based on literature available data of inactive state of CD. The demographic and formulation information are based on the published in vivo pharmacokinetics data of midazolam and budesonide in CD patients. The model details and results are published in 2022 DOI: 10.1007/s40262-022-01169-4

Search Score: 1

Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20200323

Model Files Publication

The HCQ file was developed by Peking University Third Hospital and kindly shared on our Members Area. Please cite the original reference in which the file was presented (see link to publication) and please share your simulation results ASAP. Considering the current public health situation, we are happy to coordinate the simulation efforts around this PBPK model. The submitted compound file for HCQ is using first order absorption model, full-PBPK, Method 2. Perfusion limited lung model was developed. Additional organ was defined as lung and changed the tissue blood rate flow as 0.2. Clearance of HLM was estimated based on fm. It has been verified with a Caucasian healthy volunteer population library that was unmodified from the Sim-Healthy Volunteer library file. Please note a custom dosing for 5 days has been included in the file. https://pubmed.ncbi.nlm.nih.gov/32150618/

Search Score: 1

Chlorpromazine

Model Files Publication

Brand Name(s) include: Thorazine, Largactil, Ormazine

Indication: Schizophrenia, manic-depression

Drug Class: Conventional anitpsychotic

Date Updated: March 2024

The model at-a-glance

Absorption Model	First-Order, fa and ka predicted by Caco-2 data
Volume of Distribution	Minimal (optimized to IV data)
Route of Elimination	fm_CYP3A4= 80, fm_CYP2D6 = 20
Perpetrator DDI	Inhibition of CYP2D6
Validation	Model performance was verified in healthy volunteers and psychiatric patients. Two clinical studies with IV administration (7 to 10 mg) and ten clinical studies with oral administration (25 to 200 mg) were used for model verification. Simulations for eight of eleven clinical studies with a reported AUC were within 2-fold of the observed value. The fm_CYP1A2was verified through simulations of chlorpromazine in smokers and non-smokers. The fm_CYP2D6was verified through simulations of chlorpromazine coadministered with and without quinidine.
Limitations	Model was developed using 10 mg IV and 100 mg PO. Use of 7-10 mg IV dosing and oral doses of 100-200 mg were verified, but predictions of oral doses <100 mg PO are overestimated. Model does not include P-gp efflux. Model is not verified for use in perpetrator DDI simulations with CYP2D6 substrates.

Search Score: 1

Search the PBPK Model Repository

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Piperaquine

The model at-a-glance

CrohnsDiseasePopulation_V19R1_UniversityOfManchester_20230322

Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20200323

Chlorpromazine

The model at-a-glance

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