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.

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Found 148 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
Bosutinib_V18R2_Simcyp_20240624
Model Files Publication

.

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

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