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 44 Matches

Lopinavir&Ritonavir_V13R2_USFDA_20190719
Model Files Publication
Compound files from publication: Physiologically Based Pharmacokinetic Modeling for Predicting the Effect of Intrinsic and Extrinsic Factors on Darunavir or Lopinavir Exposure Coadministered With Ritonavir Wagner, C., Zhao, P., Arya, V., Mullick, C., Struble, K. and Au, S (2017). https://doi.org/10.1002/jcph.936 /PMID#: 28569994 The compound file is the final model used for simulations in combination with ritonavir (submitted to repository referencing the same article). Correction: Ritonavir's pKa 2 should be 2.6, reported in Supp. Table 1 was 2.8 https://accp1.onlinelibrary.wiley.com/doi/full/10.1002/jcph.936
Search Score: 1
Oseltamivir_Carboxylate_V12R1_USFDA_20150709
Model Files Publication
Metabolite of oseltamivir. Information can be found in Table 1 and supplemental file of the publication. Table 1. also in supplemental file. Correction: Molecular weight should be 284 g/mol (in cmp file). Table 1 mistakenly listed MW of prodrug oseltamivir. Correction will be submitted to journal. The submitted cmp file has custom dosing. Oral dosing should be selected and dose should be adjusted according to MW differences between OC and prodrug oseltamivir to allow OC PK to be simulated when prodrug is given intravenously.
Search Score: 1
Indinavir
Model Files Publication

Brand Name(s) include: Crixivan

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

Ke AB, Nallani SC, Zhao P, Rostami-Hodjegan A, Unadkat JD. A PBPK Model to Predict Disposition of CYP3A-Metabolized Drugs in Pregnant Women: Verification and Discerning the Site of CYP3A Induction. CPT Pharmacometrics Syst Pharmacol. 2012 Sep 26;1(9):e3.

 Simcyp Version

V13

 Published Model Application

Prediction of exposure in pregnancy

 Absorption Model

First Order
 Volume of Distribution Details

Full PBPK

 Route of Elimination
  • CYP3A4 and renal clearance
    • Nonlinear CYP3A4 kinetics

 Perpetrator DDI
  • None 

 Advantages and Limitations
  • Model developed in healthy volunteers to simulate indinavir PK in pregnant women.
  • Can simulate iv and oral data.
  • Verified in healthy subjects and pregnant women in the third trimester.
  • FmCYP3A4 not verified with clinical data.

 Model Compound Files
  • v18_res_indinavir_simcyp_ke
Search Score: 1
Lopinavir
Model Files Publication

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
Search Score: 1

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