Petrov2018 - C-547 a 6-methyluracil derivative with long-lasting binding and rebinding on acetylcholinesterase Lab

{
  "io": {
    "inputs": [
      {
        "name": "initial_c547_binding_state_y1",
        "label": "Initial C547 Binding State Y1",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.initial_c547_binding_state_y1"
      },
      {
        "name": "initial_c547_binding_state_y2",
        "label": "Initial C547 Binding State Y2",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.initial_c547_binding_state_y2"
      },
      {
        "name": "initial_c547_binding_state_y3",
        "label": "Initial C547 Binding State Y3",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.initial_c547_binding_state_y3"
      },
      {
        "name": "initial_c547_binding_state_y4",
        "label": "Initial C547 Binding State Y4",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.initial_c547_binding_state_y4"
      },
      {
        "name": "initial_c547_binding_state_y5",
        "label": "Initial C547 Binding State Y5",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.initial_c547_binding_state_y5"
      }
    ],
    "outputs": [
      {
        "name": "state",
        "label": "Tracked source state",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.state"
      },
      {
        "name": "summary",
        "label": "Simulation summary",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.summary"
      },
      {
        "name": "species_labels",
        "label": "Observable labels",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.species_labels"
      },
      {
        "name": "c547_binding_state_y1",
        "label": "C547 Binding State Y1",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.c547_binding_state_y1"
      },
      {
        "name": "c547_binding_state_y2",
        "label": "C547 Binding State Y2",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.c547_binding_state_y2"
      },
      {
        "name": "c547_binding_state_y3",
        "label": "C547 Binding State Y3",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.c547_binding_state_y3"
      },
      {
        "name": "c547_binding_state_y4",
        "label": "C547 Binding State Y4",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.c547_binding_state_y4"
      },
      {
        "name": "c547_binding_state_y5",
        "label": "C547 Binding State Y5",
        "maps_to": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.c547_binding_state_y5"
      }
    ]
  },
  "tags": [
    "pharmacology",
    "receptor-binding",
    "neuroscience",
    "toxicology",
    "sbml",
    "tellurium",
    "faithful",
    "biomodels_ebi"
  ],
  "title": "Petrov2018 - C-547 a 6-methyluracil derivative with long-lasting binding and rebinding on acetylcholinesterase Lab",
  "models": [
    {
      "path": "owned/models/pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model",
      "alias": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model",
      "parameters": {
        "model_path": "data/MODEL1910240001.xml",
        "integration_step": 0.2
      },
      "provenance": {
        "owned_path": "owned/models/pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model"
      }
    },
    {
      "path": "owned/models/visualisation",
      "alias": "visualisation",
      "provenance": {
        "owned_path": "owned/models/visualisation"
      }
    }
  ],
  "wiring": [
    {
      "to": [
        "visualisation.pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model_state"
      ],
      "from": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.state"
    },
    {
      "to": [
        "visualisation.pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model_summary"
      ],
      "from": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.summary"
    },
    {
      "to": [
        "visualisation.pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model_species_labels"
      ],
      "from": "pharmacology_sbml_petrov2018_c_547_a_6_methyluracil_derivative_wit_model1910240001_model.species_labels"
    }
  ],
  "runtime": {
    "duration": 60,
    "initial_inputs": {},
    "communication_step": 2
  },
  "description": "C-547, a candidate drug, is a potent slow-binding inhibitor of acetyl-cholinesterase, and the focus of this PK/PD model, which investigates the metabolism and clinical effect of C-547 when it is no lo. It can be used to explore dose-response dynamics and compare treatment scenarios across conditions.",
  "schema_version": "2.0"
}