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Physiologically based pharmacokinetic (PBPK) modeling of the role of CYP2D6 polymorphism for metabolic phenotyping with dextromethorphan. It can be used to explore dose-response dynamics and compare treatment scenarios across conditions.
Manifest
{
"io": {
"inputs": [
{
"name": "oral_dextromethorphan_dose_mg",
"label": "Oral Dextromethorphan Dose Mg",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.oral_dextromethorphan_dose_mg"
},
{
"name": "iv_dextromethorphan_bolus_mg",
"label": "IV Dextromethorphan Bolus Mg",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.iv_dextromethorphan_bolus_mg"
},
{
"name": "dextromethorphan_infusion_rate_mg_per_min",
"label": "Dextromethorphan Infusion Rate Mg Per Min",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.dextromethorphan_infusion_rate_mg_per_min"
},
{
"name": "cyp2d6_custom_activity",
"label": "CYP2D6 Custom Activity",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.cyp2d6_custom_activity"
},
{
"name": "cyp2d6_vmax",
"label": "CYP2D6 VMAX",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.cyp2d6_vmax"
},
{
"name": "cyp3a4_vmax",
"label": "CYP3A4 VMAX",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.cyp3a4_vmax"
}
],
"outputs": [
{
"name": "state",
"label": "Tracked source state",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.state"
},
{
"name": "summary",
"label": "Simulation summary",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.summary"
},
{
"name": "species_labels",
"label": "Observable labels",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.species_labels"
},
{
"name": "dextromethorphan_liver_plasma",
"label": "Dextromethorphan Liver Plasma",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.dextromethorphan_liver_plasma"
},
{
"name": "dextromethorphan_gut_plasma",
"label": "Dextromethorphan Gut Plasma",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.dextromethorphan_gut_plasma"
},
{
"name": "dextromethorphan_kidney_plasma",
"label": "Dextromethorphan Kidney Plasma",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.dextromethorphan_kidney_plasma"
},
{
"name": "dextromethorphan_lung_plasma",
"label": "Dextromethorphan Lung Plasma",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.dextromethorphan_lung_plasma"
},
{
"name": "dextorphan_liver_plasma",
"label": "Dextorphan Liver Plasma",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.dextorphan_liver_plasma"
},
{
"name": "dextorphan_glucuronide_liver_plasma",
"label": "Dextorphan Glucuronide Liver Plasma",
"maps_to": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.dextorphan_glucuronide_liver_plasma"
}
]
},
"tags": [
"pharmacology",
"pbpk",
"pharmacokinetics",
"physiology",
"cyp-metabolism",
"sbml",
"tellurium",
"faithful",
"biomodels_ebi"
],
"title": "Grzegorzewski2022 - PBPK model of dextromethorphan Lab",
"models": [
{
"path": "models/core",
"alias": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model",
"parameters": {
"model_path": "data/MODEL2301090002.xml",
"integration_step": 0.1
}
},
{
"path": "models/visualisation",
"alias": "visualisation"
}
],
"wiring": [
{
"to": [
"visualisation.pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model_state"
],
"from": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.state"
},
{
"to": [
"visualisation.pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model_summary"
],
"from": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.summary"
},
{
"to": [
"visualisation.pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model_species_labels"
],
"from": "pharmacology_sbml_grzegorzewski2022_pbpk_model_of_dextromethorphan_model2301090002_model.species_labels"
}
],
"package": "grzegorzewski2022-dextromethorphan-pbpk",
"runtime": {
"duration": 24,
"initial_inputs": {},
"communication_step": 1
},
"version": "1.0.0",
"description": "Physiologically based pharmacokinetic (PBPK) modeling of the role of CYP2D6 polymorphism for metabolic phenotyping with dextromethorphan. It can be used to explore dose-response dynamics and compare treatment scenarios across conditions.",
"schema_version": "2.0"
}Runtime
Duration24
Comms Step1
Runs
Total0
Completed0
Failed0
Metadata
Packagegrzegorzewski2022-dextromethorphan-pbpk
Created2026-05-16
Updated2026-06-13
pharmacologypbpkpharmacokineticsphysiologycyp-metabolismsbmltelluriumfaithfulbiomodels_ebivisualisationother