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 100 Matches

Ertugliflozin_V15R1_Pfizer_20220726

Model Files Publication

Ertugliflozin compound file, UGT1A9 and UGT2B4/7 substrate. Model developed and verified using ADME, IV PK and SD/MD clinical data. Simulated DDI with UGT inhibitor mefenamic acid. https://ascpt.onlinelibrary.wiley.com/doi/full/10.1002/psp4.12581

Search Score: 1

Hyperforin_V17R1_UniversityOfSydney_20190131

Model Files Publication

The submitted compound file describes the PBPK model for hyperforin (from St John's wort extract). The PBPK model implements first-order absorption model, full-PBPK (method 2) for its distribution and total CLint in HLM (whole organ metabolic clearance) calculated by the retrograde approach. The model accounts for the induction of CYP3A4, 2C9 and 2C19. It has been verified using the healthy population library available in Simcyp SImulator by default. The predictive performance of this model to predict herb-drug interactions with St John's wort was evaluated across a range of CYP substrates as detailed in the publication. https://link.springer.com/article/10.1007%2Fs40262-019-00736-6

Search Score: 1

Pitavastatin_V17R1_ASTAR_20190730

Model Files Publication

The submitted compound file for Pitavastatin uses ADAM, Full PBPK method 2, enzyme kinetics for metabolism and transporter kinetics for intestinal absorption, 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.altex.org/index.php/altex/article/view/1215

Search Score: 1

Darunavir&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 These two files were used in combination (linked models). Note: Darunavir model also has fu,mic for DDI, and induction parameters for CYP1A that were not captured in Supplemental Table 1. Correction: Ritonavir's pKa2 should be 2.6 instead of 2.8 in Suppl. Table 1. https://accp1.onlinelibrary.wiley.com/doi/full/10.1002/jcph.936

Search Score: 1

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Ertugliflozin_V15R1_Pfizer_20220726

Hyperforin_V17R1_UniversityOfSydney_20190131

Pitavastatin_V17R1_ASTAR_20190730

Darunavir&Ritonavir_V13R2_USFDA_20190719

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