Babaev2025 - CYP2C9 and ABCB1 losartan metabolism model Lab

{
  "io": {
    "inputs": [
      {
        "name": "initial_losartan_metabolite_e3174",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.initial_losartan_metabolite_e3174",
        "description": "Initial condition for losartan metabolite e3174. Maps to bundled SBML symbol `E3174_out`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      },
      {
        "name": "initial_losartan_metabolite_e3174_2",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.initial_losartan_metabolite_e3174_2",
        "description": "Initial condition for losartan metabolite e3174 2. Maps to bundled SBML symbol `E3174_cc`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      },
      {
        "name": "initial_drug_metabolism_state_3",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.initial_drug_metabolism_state_3",
        "description": "Initial condition for drug metabolism state 3. Maps to bundled SBML symbol `losartan_cc`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      },
      {
        "name": "initial_drug_metabolism_state_4",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.initial_drug_metabolism_state_4",
        "description": "Initial condition for drug metabolism state 4. Maps to bundled SBML symbol `losartan_ent`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      },
      {
        "name": "initial_drug_metabolism_state_5",
        "units": "native SBML value",
        "default": 0,
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.initial_drug_metabolism_state_5",
        "description": "Initial condition for drug metabolism state 5. Maps to bundled SBML symbol `losartan_int`. Applied before the Tellurium simulation starts; this does not change kinetic parameters or equations. Default from bundled SBML initial value."
      }
    ],
    "outputs": [
      {
        "name": "losartan_metabolite_e3174",
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.losartan_metabolite_e3174"
      },
      {
        "name": "losartan_metabolite_e3174_2",
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.losartan_metabolite_e3174_2"
      },
      {
        "name": "drug_metabolism_state_3",
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.drug_metabolism_state_3"
      },
      {
        "name": "drug_metabolism_state_4",
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.drug_metabolism_state_4"
      },
      {
        "name": "drug_metabolism_state_5",
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.drug_metabolism_state_5"
      },
      {
        "name": "observable_values",
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.observable_values"
      },
      {
        "name": "run_summary",
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.run_summary"
      },
      {
        "name": "observable_labels",
        "maps_to": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.observable_labels"
      }
    ]
  },
  "title": "Babaev2025 - CYP2C9 and ABCB1 losartan metabolism model Lab",
  "models": [
    {
      "path": "models/core",
      "alias": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model",
      "parameters": {
        "model_path": "data/MODEL2504020001.xml",
        "integration_step": 0.1
      }
    },
    {
      "path": "models/visualisation",
      "alias": "visualisation"
    }
  ],
  "wiring": [
    {
      "to": [
        "visualisation.metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model_observable_values"
      ],
      "from": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.observable_values"
    },
    {
      "to": [
        "visualisation.metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model_run_summary"
      ],
      "from": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.run_summary"
    },
    {
      "to": [
        "visualisation.metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model_observable_labels"
      ],
      "from": "metabolism_sbml_babaev2025_cyp2c9_and_abcb1_losartan_metabolism_model2504020001_model.observable_labels"
    }
  ],
  "package": "babaev2025-cyp2c9-and-abcb1-losartan-metabolism-model",
  "runtime": {
    "duration": 10,
    "initial_inputs": {},
    "communication_step": 1
  },
  "version": "1.0.0",
  "description": "The model can simultaneously predict the profiles of both losartan and its active metabolite, E-3174, based on a given patient's CYP2C9 and ABCB1 genotypes.The CYP2C9 alleles considered are CYP2C9*1 a. It can be used to explore metabolic flux dynamics and compare pathway behavior across conditions.",
  "schema_version": "2.0"
}