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 45 Matches

V16 Res Chloroquine Simcyp July 2017
V16 Res Chloroquine Simcyp July 2017
Budesonide_V22R1_UniversityOfManchester_20240502

The Budesonide compound file was evaluated in a Crohn’s Disease (CD) population (PMID: 37765205) and two workspaces are supplied to recover the pharmacokinetic profiles published by Ludin et al. in 2001 and Wilson et al., 2017. The Crohn’s disease population is based on the population presented in PMID: 36056298 (link). A third workspace recovers the clinical profile for Budesonide in a healthy volunteer population (Edsbäcker et al., 2004).

Lundin, P.; Naber, T.; Nilsson, M.; Edsbäcker, S. Effect of food on the pharmacokinetics of budesonide controlled ileal release capsules in patients with active Crohn’s disease. Aliment. Pharmacol. Ther. 200115, 45–51.

Wilson, A.; Tirona, R.G.; Kim, R.B. CYP3A4 activity is markedly lower in patients with Crohn’s disease. Inflamm. Bowel Dis. 201723, 804-813.

Edsbäcker S., B. Bengtsson B., Larsson P., Ludin P., Nilsson A., Ulmius J., Wollmer P., A pharmacoscintigraphic evaluation of oral budesonide given as controlled-release (Entocort) capsules. Aliment Pharmacol Ther. 2003; 17: 525–536.

Curcumin_Japanese_V19R1_AstraZeneca_20210726
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.
Doxycycline

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

 

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