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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 121 Matches

ItraconazoleAndTwoMetabolites_V17R1_AstraZeneca_20191113

Model Files Publication

Capsule and solution formulation of itraconazole in different compound files. 2 Metabolites: OH-itraconazole and KETO-itraconazole. Note: If you wish to add both itraconazole metabolites then itraconazole has to be placed as substrate. https://doi.org/10.1124/dmd.118.081364

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

R-Omeprazole_V12R2_USFDA_20160714

Model Files Publication

Note: 1. fup was reported as 0.04 in our publication (http://www.ncbi.nlm.nih.gov/pubmed/24590877) without changing the cmp file (fup=0.043). 2. The compound file was developed for R-omeprazole solution 3. We also have converted V14R1 file that has been tested to generate identical results under the condition of mutual interaction with esomeprazole (Condition 2 in Table II in our publication).

Search Score: 1

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ItraconazoleAndTwoMetabolites_V17R1_AstraZeneca_20191113

Pitavastatin_V17R1_ASTAR_20190730

Darunavir&Ritonavir_V13R2_USFDA_20190719

R-Omeprazole_V12R2_USFDA_20160714

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