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
The V21 RES-Levonorgestrel file has been developed as a substrate of CYP3A4. The file was developed to capture the pharmacokinetics after administration of Levonorgestrel alone or in combination with Ethinyl Estradiol. A workspace and performance summary are available. Levonorgestrel is known to bind to the plasma protein Sex Hormone Binding Globulin and this has been captured in the file by utilising the other protein option in the population.
This is a compound file for rofecoxib - a mechanism based inhibitor of CYP1A2. The input values for the Rofecoxib PBPK model are listed in table 2 of the publication. The file uses a User input for fa and ka with a CV of 30% for each, a predicted fugut of 0.066 and a predicted Qgut of 16.271 L/h. Competitive CYP1A2 Inhibition with a Ki of 2.25 µM and fumic of 0.88 is also included in the file.
This is compound file for tizanidine, a CYP1A2 substrate. The input values for the Tizanidine PBPK model are listed in table 1 of the publication. The file uses a User fugut of 1E-06. A solid formulation is used with the segregated transit time model activated and a predicted aqueous phase intrinsic solubility.
Tramadol adult compound file for pediatric prediction. The following parameters need to be updated, as compared to Table 2 in the manuscript: CYP2D6 0.7, CYP3A4 0.035, CYP2B6 0.1, CLr 6.6 L/hr
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