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.

Searching Tips!

You can use a suffix operator (*) as the placeholder for end of a term. The query must start with at least one alphanumeric character before the suffix operator. E.g., Rifam* will get you “Rifampicin” and “Rifampin”. For more advanced searching tips click here.

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

Found 91 Matches

Etravirine

Model Files Publication

Brand Name(s) include: Intelence

Disease: HIV

Drug Class: Non-nucleoside reverse transcriptase inhibitors

Date of Review: 2020

Number of Models Reviewed: 3

Number of Models added to the Repository: 1

The model at-a-glance

Matlab/Simbiology

Publication	Moltó, J., Rajoli, R., Back, D., Valle, M., Miranda, C., Owen, A., Clotet, B., & Siccardi, M. (2017). Use of a physiologically based pharmacokinetic model to simulate drug-drug interactions between antineoplastic and antiretroviral drugs. The Journal of antimicrobial chemotherapy, 72(3), 805–811.
Simcyp Version	Not a Simcyp model (Matlab/Simbiology)
Published Model Application	Simulation of DDIs
Absorption Model	Compartmental absorption
Volume of Distribution Details	Full PBPK
Route of Elimination	CYP3A4 and CYP2C19
Perpetrator DDI	CYP3A4 Induction
Advantages and Limitations	Model developed in healthy volunteers to simulate DDIs between antineoplastic and antiretrovirals. Only verified with one study.
Model Compound Files	None

Matlab/Simbiology

Publication	Rajoli, R. K., Back, D. J., Rannard, S., Freel Meyers, C. L., Flexner, C., Owen, A., & Siccardi, M. (2015). Physiologically Based Pharmacokinetic Modelling to Inform Development of Intramuscular Long-Acting Nanoformulations for HIV. Clinical pharmacokinetics, 54(6), 639–650.
Simcyp Version	Not a Simcyp model (Matlab/Simbiology)
Published Model Application	Long-acting injectable formulation assessment
Absorption Model	Compartmental and transit model
Volume of Distribution Details	Full PBPK
Route of Elimination	CYP3A4 and CYP2C19
Perpetrator DDI	CYP3A4 Induction
Advantages and Limitations	Model developed in HIV patients in the fed state Formulation dependent PK
Model Compound Files	None

Version 17

Publication	Litou, C., Turner, D. B., Holmstock, N., Ceulemans, J., Box, K. J., Kostewicz, E., Kuentz, M., Holm, R., & Dressman, J. (2020). Combining biorelevant in vitro and in silico tools to investigate the in vivo performance of the amorphous solid dispersion formulation of etravirine in the fed state. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 149, 105297.
Simcyp Version	V17
Published Model Application	Prediction of Food Effect
Absorption Model	ADAM
Volume of Distribution Details	Full PBPK
Route of Elimination	CYP3A4 and CYP2C19 Includes Michaelis–Menten kinetics
Perpetrator DDI	None included
Advantages and Limitations	Model developed to predict PK of drugs with amorphous solid dispersion. Model was verified for single administration in fed state. Model can capture single and multiple dose. Model victim DDI has not been verified
Model Compound Files	v17_res_etravirine_simcyp_litou

Search Score: 1

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: 1

Rofecoxib_V18R1_LongIslandUniversity_20210119

Model Files Publication

This is a compound file for rofecoxib - a mechanism based inhibitor of CYP1A2. The input values for the Rofecoxib PBPK model are listed in table 2 of the publication. The file uses a User input for fa and ka with a CV of 30% for each, a predicted fugut of 0.066 and a predicted Qgut of 16.271 L/h. Competitive CYP1A2 Inhibition with a Ki of 2.25 µM and fumic of 0.88 is also included in the file.

Search Score: 1

Digoxin_V12R2_Simcyp_20150702

Model Files Publication

For the file, ADAM and permeability-ltd liver models were used together with the full-PBPK and Rodgers and Rowland method. The file was evaluated using the Jalava et al. 1997 PK data as overlay.

Search Score: 1

Search the PBPK Model Repository

Searching Tips!

Etravirine

The model at-a-glance

Matlab/Simbiology

Matlab/Simbiology

Version 17

Morphine&Morphine-3-Glucuronide_V18R1_UniversityOfNorthCarolina_20201005

Rofecoxib_V18R1_LongIslandUniversity_20210119

Digoxin_V12R2_Simcyp_20150702

Your Privacy