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 123 Matches

Lamotrigine_V17R1_HussonUniversity_20210628
Model Files Publication
https://pubmed.ncbi.nlm.nih.gov/30460522/ Lamotrigine IR and XR formulations in adults and in children aged between 4 and 17 years. 1) The file is set as FO file (IR formulation), the ADAM model can be activated and the corresponding models, like the segregated transit time model are then available to simulate the XR formulation. 2) The model is using absolute scaling for UGT1A3 and UGT1A4. For V21 the absolute abundance data for UGT1A3 were updated and hence the corresponding ISEF may require adjustment if the file is used in later versions.
Search Score: 1
Curcumin_Japanese_V19R1_AstraZeneca_20210726
Model Files Publication
For curcumin, the Japanese population library file from the Simcyp Human Simulator was used, and a sulfotransferase clearance pathway was incorporated as published for the curcumin PBPK model (Physiologically-Based Pharmacokinetic Predictions of the Effect of Curcumin on Metabolism of Imatinib and Bosutinib: In Vitro and In Vivo Disconnect - PubMed (nih.gov)). The curcumin model used in the publication linked is also based on this earlier published model. Fugut=1 represents worst-case scenario DDI while Fugut=0.03 represents assumption that fu,gut = fu,whole blood.
Search Score: 1
Doxycycline
Model Files Publication

Brand Name(s) include: Adoxa, Doryx, Monodox, Oracea, Periostat, Vibramycin, Vibra-tabs

Disease: Malaria

Drug Class: Antibiotic

Date Updated: June 2022

The model at-a-glance

  Absorption Model
  • First-Order

  Volume of Distribution

  • Full PBPK (Method 2)
  • Note: A Kp scalar (0.3) was used in the model

  Route of Elimination
  • Biliary = 66%; Renal= 44%

  Perpetrator DDI
  • None

  Validation

  • Seven clinical studies describing single and multiple dose exposure of doxycycline were used to verify the PBPK model. The model predicted AUC values in 86% of studies within 2-fold (100% if one simulated/observed ratio is rounded down from 1.52 to 1.5), of which 57% were within 1.5-fold. 

  Limitations
  • Model is not verified at doses below 100 mg or about 200 mg (dose-linearity of doxycycline is uncertain)
  • Model assumes hyclate, monohydrate and hydrochloride formulations are bioequivalent
  • Model is not developed for the prediction of IV doxycycline
  • Model was developed and verified primarily in healthy volunteer studies (except Newton et al. 2005); appropriateness of extrapolation to acute malaria patients is unknown

  Updates in V19
  • Updated in vitro­ data
    • fu: 0.142 -> 0.23
    • B:P: 1.5 -> 0.78
  • Converted from minimal PBPK model to full PBPK model
  • Elimination changed from user input IV clearance to retrograde clearance with biliary clearance and additional hepatic clearance

 

Search Score: 1
Primaquine
Model Files Publication

Brand Name(s) include: Jasoprim, Malirid, Neo-Quipenyl, Pimaquin, Pmq, Primachina, Primacin, Primaquina, Primaquine, Primaquine diphosphate, Primaquine Phosphate, and Remaquin

Disease: Malaria, Plasmodium vivax, Plasmodium ovale

Drug Class: Antimalarial

Related Files: Carboxyprimaquine (metabolite)

Date Updated: March 2022

 The model at-a-glance

Absorption Model
  • First-Order

Volume of Distribution 
  • Full PBPK (Method 2)

Routes of Elimination
  • 89% MAO (entered using ‘user-UGT’ as a surrogate in the Simulator), 11% CYP2D6

Perpetrator DDI
  • CYP1A2 Inhibitor (in vitro)

Validation

  •  6 studies with single (15 to 45 mg) and multiple (15 mg QD) dosing. 100% of Cmax and AUC values within 1.5-fold.
  • No clinical DDI studies to verify contribution of metabolic routes

Limitations
  •  The active metabolites of primaquine have not characterized due to their instability. Therefore, a PBPK model for active metabolites cannot be developed in their own right.
  • Qualitative data suggests a role of P-gp, however, Jmax and Km values have not been measured.
  • There is evidence of enantiomer specific metabolism for primaquine which has not been considered in the current model.

Updates in Version 19
  • Updated in vitro protein and blood binding data and subsequent back calculation of CLint (retrograde approach)
    •  fu: 0.19 -> 0.26
    • B:P: 1 -> 0.82
  • Converted from minimal PBPK model to full PBPK model

 

Search Score: 1

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