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 126 Matches

Chlorzoxazone_RES_V20R1_Simcyp_20210512

The RES-Chlorzoxazone file was primarily developed as an inhibitor of CYP3A4. This document provides: 1. Examples of model performance 2. A summary of the key pharmacokinetic features of Chlorzoxazone considered within the model.

Cholesterol_4beta-hydroxycholesterol_RES_V23_Simcyp_20240930

The 4β-hydroxycholesterol (4β-OHC) file is an endogenous biomarker for CYP3A activity mainly measured to evaluated potential CYP3A induction in vivo. The 4β-OHC file was developed as a primary metabolite of the parent compound, cholesterol. As the compound requires specific system parameter inputs for endogenous CYP abundance scaling, the parent-metabolite file is available within a workspace containing the required system parameters. The parent-metabolite file has been developed in the Simcyp Simulator V23 and details of the file performance are described in Karkhanis et al., 2024 (PMID 39458613) and in a compound summary that provides the key pharmacokinetic features of cholesterol and 4β-OHC considered within the model.

Clopidogrel_RES_V21R1_Simcyp_20220720

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.

Cidofovir_V12R1_FDA_20150709

Table 1 of main text, further discussion in supplemental file. Clarification: the value of intrinsic CL for hepatic elimination (0.41) is for undefined human liver microsomes according to retrograde calculation, with a unit of uL/min/mg. The operating hepatic CLint is driven by S9, which has a value of 0.13, obtained from sensitivity analysis to match HLM value above. This clarification will be informed to the journal.

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