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

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Found 136 Matches

Clopidogrel_RES_V21R1_Simcyp_20220720

Model Files Publication

The V21 RES-Clopidogrel model has been developed as an inhibitor of CYP2C8, CYP3A4 and OATP1B1. Compound file and performance summary in V21 are available, as well as a workspace containing the metabolite.

Search Score: 1

Simvastatin_Acid_Lactone_RES_V23R2_Simcyp_20241122

Model Files Publication

The RES-Simvastatin lactone and RES-Simvastatin acid models within the Simcyp Compound Repository have been developed as substrates of CYP3A4, CYP2C8, BCRP (simvastatin lactone), CES1 (simvastatin lactone) and OATP1B1 (simvastatin acid). Additionally, the models account for the interconversion between the lactone and acid forms in the acidic environment of the stomach. Note: Before running a simulation, modify the population to account for gastric luminalmetabolism. To do this, follow these steps:

Go to Population > GI Tract > LuminalMetabolism> Compound > Expression
Set the relative activity to 0 for all GI segments except the stomach

This document provides:

Examples of model performance
A summary of the key pharmacokinetic features of simvastatin lactone and simvastatin acid considered within the model

Search Score: 1

Rivaroxaban_V17R1_NationalUniversityofSingapore_20200923

Model Files Publication

https://dmd.aspetjournals.org/content/47/11/1291/tab-article-info This workspace was developed to recapitulate the magnitude of drug-drug interaction reported between Rivaroxaban and Verapamil as reported by Greenblatt et al. (https://pubmed.ncbi.nlm.nih.gov/29194698/) Note 1: In Table 1 of the publication the Caco-2 Papp (pH 7.4:7.4) was reported as 8 x 10-6 cm/s; however, the Rivaroxaban file in the workspace is using a Caco-2 Papp (pH 7.4:7.4) of 21.8 x 10-6 cm/s. This Papp is in line with the reported scalar in the EXCEL outputs and the Table 1. The obtained Rivaroxaban plasma concentration time profile is in line with the reported Figure 2C in the publication. Note 2: In Table 1 of the publication, input data for Mech KiM are stated; however, the Rivaroxaban file in the workspace is using a User Input for the renal clearance of 3.1 L/h; while the input data for Mech KiM are included in the compound file, they are not activated within the workspace, which is mimicking a DDI with Verapamil and Norverapamil. Note 3: Bile:micelle parameters were changed from 3.4 to 3.5.

Search Score: 1

Sotalol_V14R1_ AstraZeneca_20200327

Model Files Publication

Sotalol for pediatric predictions.

Search Score: 1

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Clopidogrel_RES_V21R1_Simcyp_20220720

Simvastatin_Acid_Lactone_RES_V23R2_Simcyp_20241122

Rivaroxaban_V17R1_NationalUniversityofSingapore_20200923

Sotalol_V14R1_ AstraZeneca_20200327

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