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 93 Matches

Dolutegravir_RES_V23R1_Simcyp_20240404

Model Files Publication

Simcyp developed dolutegravir compound file. Compound summary including an outline on the current status and limitations included.

The RES-Dolutegravir model has been developed primarily as a UGT1A1 and CYP3A4 substrate, and as an inhibitor of renal MATE1 and OCT2 transporters. MATE1 and OCT2 inhibition parameters have been optimized to capture impact of dolutegravir on metformin pharmacokinetics but have not been independently verified. In vitro observed inhibition of MATE2-K by dolutegravir has not been included as the parameter could not be optimized and verified with the substrate models and clinical data available at the time of dolutegravir model development.

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

Osimertinib_V14R1_AstraZeneca_20190717

Model Files Publication

Compound file from publication: Development, Verification, and Prediction of Osimertinib Drug-Drug Interactions Using PBPK Modeling Approach to Inform Drug Label. Pilla Reddy V, Walker M, Sharma P, Ballard P, Vishwanathan K (2018). CPT Pharmacometrics Systems Pharmacolology. doi: 10.1002/psp4.12289.

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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Dolutegravir_RES_V23R1_Simcyp_20240404

Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20200323

Osimertinib_V14R1_AstraZeneca_20190717

Chlorpromazine

The model at-a-glance

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