diff --git a/Itraconazole-Digoxin-DDI.json b/Itraconazole-Digoxin-DDI.json new file mode 100644 index 0000000..e909879 --- /dev/null +++ b/Itraconazole-Digoxin-DDI.json @@ -0,0 +1,6210 @@ +{ + "Version": 79, + "ExpressionProfiles": [ + { + "Type": "Enzyme", + "Species": "Human", + "Molecule": "CYP3A4", + "Category": "European (P-gp modified, CYP3A4 36 h)", + "Parameters": [ + { + "Path": "CYP3A4|Reference concentration", + "Value": 4.32, + "Unit": "µmol/l" + }, + { + "Path": "CYP3A4|t1/2 (intestine)", + "Value": 23.0, + "Unit": "h" + }, + { + "Path": "CYP3A4|t1/2 (liver)", + "Value": 36.0, + "Unit": "h", + "ValueOrigin": { + "Source": "Unknown" + } + }, + { + "Path": "Organism|Brain|Intracellular|CYP3A4|Relative expression", + "Value": 0.0041682898325 + }, + { + "Path": "Organism|Gonads|Intracellular|CYP3A4|Relative expression", + "Value": 0.00078691079081 + }, + { + "Path": "Organism|Kidney|Intracellular|CYP3A4|Relative expression", + "Value": 0.0053603428126 + }, + { + "Path": 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(n=5)" + ] + } + ] +} \ No newline at end of file diff --git a/Itraconazole-Digoxin-DDI.pksim5 b/Itraconazole-Digoxin-DDI.pksim5 deleted file mode 100644 index b49a57e..0000000 Binary files a/Itraconazole-Digoxin-DDI.pksim5 and /dev/null differ diff --git a/Itraconazole-Digoxin-DDI.png b/Itraconazole-Digoxin-DDI.png deleted file mode 100644 index e3b868b..0000000 Binary files a/Itraconazole-Digoxin-DDI.png and /dev/null differ diff --git a/README.md b/README.md index e30e794..04bae7c 100644 --- a/README.md +++ b/README.md @@ -1,12 +1,14 @@ # Itraconazole-Digoxin-DDI -Modeling of published clinical Itraconazole-Digoxin-DDI studies for model evaluation +Modeling of published clinical Itraconazole-Digoxin-DDI studies for model evaluation. -

- -

+The repository contains a [PK-Sim snapshot (*.json) file](https://docs.open-systems-pharmacology.org/working-with-pk-sim/pk-sim-documentation/importing-exporting-project-data-models#exporting-project-to-snapshot-loading-project-from-snapshot) containing the respective simulations. -## Repository files -Within this repository, we distribute a PK-Sim project file containing simulations of all published clinical studies used to evaluate the predictive performance of our models regarding the Itraconazole-Digoxin-DDI, including the respective observed data digitized from literature reports. The applied itraconazole model is an improved version of the itraconazole/hydroxy-itraconazole compound template provided in PK-Sim; the compound template will be updated as soon as possible. For further details and documentation please refer to [[1](#reference)]. +**The latest release of the snapshot can be found [here](../../releases/latest).** + +The reference model repositories can be found here: + +- [Itraconazole OSP PBPK model](https://github.com/Open-Systems-Pharmacology/Itraconazole-Model) +- [Digoxin OSP PBPK model](https://github.com/Open-Systems-Pharmacology/Digoxin-Model) ## Code of conduct Everyone interacting in the Open Systems Pharmacology community (codebases, issue trackers, chat rooms, mailing lists etc...) is expected to follow the Open Systems Pharmacology [code of conduct](https://github.com/Open-Systems-Pharmacology/Suite/blob/master/CODE_OF_CONDUCT.md#contributor-covenant-code-of-conduct). @@ -16,6 +18,3 @@ We encourage contribution to the Open Systems Pharmacology community. Before get ## License The model code is distributed under the [GPLv2 License](https://github.com/Open-Systems-Pharmacology/Suite/blob/develop/LICENSE). - -## Reference -[1] [Hanke N, Frechen S, Moj D, Britz H, Eissing T, Wendl T, Lehr T. PBPK models for CYP3A4 and P-gp DDI prediction: a modeling network of rifampicin, itraconazole, clarithromycin, midazolam, alfentanil and digoxin. CPT: Pharmacometrics & Systems Pharmacology (2018), https://doi.org/10.1002/psp4.12343.](https://ascpt.onlinelibrary.wiley.com/doi/abs/10.1002/psp4.12343)