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 66 Matches

Ganciclovir_V15R1_USFDA_20170810
Model Files Publication
http://onlinelibrary.wiley.com/doi/10.1002/cpt.750/full Ganciclovir compound file in healthy volunteers. Evaluation of the effect of renal impairment on the PK of OAT substrates. NOTE: Kp scaler in model should be 0.33, different from Table 1.
Search Score: 1
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
Rosuvastatin_V17R1_ASTAR_20190724
Model Files Publication
The submitted compound file for Rosuvastatin uses ADAM, Full-PBPK method 2, enzyme kinetics for metabolism and transporter kinetics for the permeability limited liver model and MechKim model. Tissue : Plasma partition coefficients have been modified to include data obtained from rat distribution studies. It has been used together with the unmodified Sim-Healthy Volunteer library file. https://www.ncbi.nlm.nih.gov/pubmed/31079160
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

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