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.

To contribute published user compound and/or population files, upload your files here: Upload Model Files

Searching Tips

You can use a * character as a wildcard at the end of a alphanumeric search term. The search term must start with at least one character before the wildcard. E.g., Rifam* will get you “Rifampicin” and “Rifampin”.
You can also use a * character as a wildcard in the middle of a alphanumeric search term. The search term must still start with at least one character before the wildcard. E.g., Rif*in will also get you “Rifampicin” and “Rifampin” .
You can also use a * character as a wildcard at the start of a alphanumeric search term. However you must use forward slashes to delimit the search term and use a point before the wildcard. E.g., /.*picin/ will only get you “Rifampicin”.

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

Found 30 Matches

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

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

Vemurafenib_V17R1_UniversityOfOklahomaHSC_20200710

Model Files Publication

Vemurafenib in Sim-Healthy Volunteers. https://jpharmsci.org/article/S0022-3549(20)30328-2/pdf

Search Score: 1

Curcumin_Japanese_V19R1_AstraZeneca_20210726

Model Files Publication

For curcumin, the Japanese population library file from the Simcyp Human Simulator was used, and a sulfotransferase clearance pathway was incorporated as published for the curcumin PBPK model (Physiologically-Based Pharmacokinetic Predictions of the Effect of Curcumin on Metabolism of Imatinib and Bosutinib: In Vitro and In Vivo Disconnect - PubMed (nih.gov)). The curcumin model used in the publication linked is also based on this earlier published model. Fugut=1 represents worst-case scenario DDI while Fugut=0.03 represents assumption that fu,gut = fu,whole blood.

Search Score: 1

Search the PBPK Model Repository

Searching Tips

Oseltamivir_Carboxylate_V12R1_USFDA_20150709

Darunavir&Ritonavir_V13R2_USFDA_20190719

Vemurafenib_V17R1_UniversityOfOklahomaHSC_20200710

Curcumin_Japanese_V19R1_AstraZeneca_20210726

Your Privacy