Bucher2011_Atorvastatin_Metabolism Lab

{
  "io": {
    "inputs": [
      {
        "name": "cyp3a4_para_hydroxylation_capacity",
        "label": "CYP3A4 Para Hydroxylation Capacity",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.cyp3a4_para_hydroxylation_capacity"
      },
      {
        "name": "cyp3a4_ortho_hydroxylation_capacity",
        "label": "CYP3A4 Ortho Hydroxylation Capacity",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.cyp3a4_ortho_hydroxylation_capacity"
      },
      {
        "name": "ugt1a3_lactonization_capacity",
        "label": "UGT1A3 Lactonization Capacity",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.ugt1a3_lactonization_capacity"
      },
      {
        "name": "pon_lactone_hydrolysis_rate",
        "label": "Pon Lactone Hydrolysis Rate",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.pon_lactone_hydrolysis_rate"
      }
    ],
    "outputs": [
      {
        "name": "state",
        "label": "Tracked source state",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.state"
      },
      {
        "name": "summary",
        "label": "Simulation summary",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.summary"
      },
      {
        "name": "species_labels",
        "label": "Observable labels",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.species_labels"
      },
      {
        "name": "mitochondrial_atorvastatin_acid",
        "label": "Mitochondrial Atorvastatin Acid",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.mitochondrial_atorvastatin_acid"
      },
      {
        "name": "mitochondrial_atorvastatin_lactone",
        "label": "Mitochondrial Atorvastatin Lactone",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.mitochondrial_atorvastatin_lactone"
      },
      {
        "name": "mitochondrial_para_hydroxy_atorvastatin",
        "label": "Mitochondrial Para Hydroxy Atorvastatin",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.mitochondrial_para_hydroxy_atorvastatin"
      },
      {
        "name": "mitochondrial_ortho_hydroxy_atorvastatin",
        "label": "Mitochondrial Ortho Hydroxy Atorvastatin",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.mitochondrial_ortho_hydroxy_atorvastatin"
      },
      {
        "name": "cytosolic_atorvastatin_acid",
        "label": "Cytosolic Atorvastatin Acid",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.cytosolic_atorvastatin_acid"
      },
      {
        "name": "cytosolic_atorvastatin_lactone",
        "label": "Cytosolic Atorvastatin Lactone",
        "maps_to": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.cytosolic_atorvastatin_lactone"
      }
    ]
  },
  "tags": [
    "pharmacology",
    "metabolism",
    "pharmacokinetics",
    "cardiovascular",
    "sbml",
    "tellurium",
    "faithful",
    "biomodels_ebi"
  ],
  "title": "Bucher2011_Atorvastatin_Metabolism Lab",
  "models": [
    {
      "path": "owned/models/pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model",
      "alias": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model",
      "parameters": {
        "model_path": "data/BIOMD0000000328.xml",
        "integration_step": 0.1
      },
      "provenance": {
        "owned_path": "owned/models/pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model"
      }
    },
    {
      "path": "owned/models/visualisation",
      "alias": "visualisation",
      "provenance": {
        "owned_path": "owned/models/visualisation"
      }
    }
  ],
  "wiring": [
    {
      "to": [
        "visualisation.pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model_state"
      ],
      "from": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.state"
    },
    {
      "to": [
        "visualisation.pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model_summary"
      ],
      "from": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.summary"
    },
    {
      "to": [
        "visualisation.pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model_species_labels"
      ],
      "from": "pharmacology_sbml_bucher2011_atorvastatin_metabolism_biomd0000000328_model.species_labels"
    }
  ],
  "runtime": {
    "duration": 24,
    "initial_inputs": {},
    "communication_step": 1
  },
  "description": "This is the model of atorvastatin metabolism in hepaitc cells described in the article: A systems biology approach to dynamic modeling and inter-subject variability of statin pharmacokinetics in human. It can be used to explore dose-response dynamics and compare treatment scenarios across conditions.",
  "schema_version": "2.0"
}