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 57 Matches

Brand Name(s) include: Kaletra (fixed dose combination with low dose ritonavir)

Disease: HIV

Drug Class: Protease inhibitor

Date of Review: 2020

Number of Models Reviewed: 1

Number of Models added to the Repository: 1

The model at-a-glance

 Publication

Wagner et al., Physiologically-Based Pharmacokinetic Modeling for Predicting the Effect of Intrinsic and Extrinsic Factors on Darunavir or Lopinavir Exposure Co-administered with Ritonavir. J Clin Pharmacol. 2017 October ; 57(10): 1295–1304.  (FDA model)

 Simcyp Version

V13

 Absorption Model

First-Order 

 Volume of Distribution Details

Minimal PBPK

 Route of Elimination

  • CYP3A4 and renal clearance

 Perpetrator DDI

  • CYP3A4 time-dependent inhibitor
  • CYP3A5 time-dependent inhibitor

 Advantages and Limitations

  • Model developed to predict the impact of hepatic impairment on lopinavir PK.
  • Accurately replicates 400 mg dose (therapeutic dose). Overprediction of 200 mg dose and underprediction of 800 mg single dose.
  • DDI with ritonavir works with ritonavir file published in V18, but not the updated V19 file.
  • Perpetrator DDI not verified.

 Model Compound Files

  • v13_res_lopinavir_simcyp_wagner
  • v13_res_ritonavir_simcyp_wagner
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.

Azithromycin

Brand Name(s) include: Zithromax

Disease: Malaria

Drug Class: Marcolide Antibiotic

Date Updated: March 2021

The model at-a-glance

  Absorption Model

  • First-Order

  Volume of Distribution

  • Full PBPK (Method 2)

Note: A Kp scalar (0.04) was used in the model

  Route of Elimination

  • No metabolism; a biliary CLint was input based on clinical data

  Perpetrator DDI

  • None

  Validation

  • Two clinical studies describing single and multiple dose exposure of atovaquone were used to verify the PBPK model. 100% of studies were within 1.5-fold.

  Limitations

  • There are some data to suggest atovaquone is an inhibitor of BCRP.  This is currently not included within the model.

  Updates in V19

  • Updated in vitro­ data
    • LogP: 5.8 -> 8.4
    • Caco-2 Papp > 300 x 10-6 cm/s
    • Propranolol Papp 101 x 10-6 cm/s
  • Optimized ka and tlag
  • Converted from minimal PBPK model to full PBPK model

 

Probenecid_V12R1_FDA_20150709
Supplemental table. Ki against OAT transporters can be changed (sensitivity analysis was conducted in the referenced publication to explore "in vivo" Ki).

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