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 142 Matches

Levonorgestrel_RES_V21R1_Simcyp_20220401

The V21 RES-Levonorgestrel file has been developed as a substrate of CYP3A4. The file was developed to capture the pharmacokinetics after administration of Levonorgestrel alone or in combination with Ethinyl Estradiol. A workspace and performance summary are available. Levonorgestrel is known to bind to the plasma protein Sex Hormone Binding Globulin and this has been captured in the file by utilising the other protein option in the population.

Benzylpenicillin_RES_V20R1_Simcyp_20210512

The RES-Benzylpenicillin file was primarily developed as a substrate of renal OAT3 transport. This document provides: 1. Examples of model performance 2. A summary of the key pharmacokinetic features of benzylpenicillin considered within the model.

ValproicAcid_V21R1_NationalTaiwanUniversity_20231012

Three compound files for adults and 3 files for paediatrics are available for the parent compounds, Valproic Acid, reflecting the inputs required for EC tablets, tablets, and capsules, respectively. A compound file for the metabolite, 4-ene-Valproid Acid is available too. Details on the model assumptions and verification in V21R1 are available in the corresponding reference (DOI: 10.1002/psp4.13045) and supplement material on the journal (CPT: Pharmacometrics & Systems Pharmacology) website.

Physiologically based mechanistic insight into differential risk of valproate hepatotoxicity between children and adults: A focus on ontogeny impact - PubMed (nih.gov)

Chlorpromazine

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

  • fmCYP3A4 = 80, fmCYP2D6 = 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 fmCYP1A2 was verified through simulations of chlorpromazine in smokers and non-smokers. The fmCYP2D6­ was 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.

 

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