Moreau
Notes
BPA PBK - Moreau et al. 2025 Stomach -> Duodenum -> GITissue -> Liver Perfusion-limited: Blood <-> Liver, Blood <-> Rest Hepatic metabolism: intrinsic clearance Plasma metabolism: set to 0 for BAP
Overview
| key | value |
|---|---|
| Modelled species/orgamism(s) | not specified |
| Model chemical(s) | not specified |
| Input route(s) | no routes detected |
| Time resolution | h |
| Amounts unit | mg |
| Volume unit | L |
| Number of compartments | 7 |
| Number of species | 9 |
| Number of parameters | 37 (20 external / 17 internal) |
Diagram
Compartments
| id | name | unit | model qualifier |
|---|---|---|---|
| Stomach | Stomach | L | http://purl.obolibrary.org/obo/PBPKO_00566 |
| GITissue | intestinal tissue | L | not specified |
| Duodenum | Duodenum | L | http://purl.obolibrary.org/obo/PBPKO_00471 |
| Liver | Liver | L | http://purl.obolibrary.org/obo/PBPKO_00558 |
| Plasma | Plasma | L | http://purl.obolibrary.org/obo/PBPKO_00488 |
| Rest | Rest | L | http://purl.obolibrary.org/obo/PBPKO_00450 |
| Urine | Urine | L | http://purl.obolibrary.org/obo/PBPKO_00556 |
Species
| id | name | unit | model qualifier |
|---|---|---|---|
| ASt | amount in stomach | mg | not specified |
| ADuodenum | amount in duodenum | mg | not specified |
| AGITissue | amount in intestinal tissue | mg | not specified |
| ALiver | amount in liver | mg | http://purl.obolibrary.org/obo/PBPKO_00497 |
| APlasma | amount in plasma | mg | http://purl.obolibrary.org/obo/PBPKO_00502 |
| ARest | amount in rest | mg | http://purl.obolibrary.org/obo/PBPKO_00501 |
| ALiverMet | amount of metabolite in liver | mg | http://purl.obolibrary.org/obo/PBPKO_00497 |
| APlasmaMet | amount of metabolite in plasma | mg | http://purl.obolibrary.org/obo/PBPKO_00502 |
| AUrine | amount in urine | mg | http://purl.obolibrary.org/obo/PBPKO_00272 |
Transfer equations
| id | from | to | equation |
|---|---|---|---|
| _J0 | ASt | ADuodenum | ksto * ASt |
| _J1 | ADuodenum | AGITissue | kabs * ADuodenum |
| _J2 | AGITissue | ALiver | QGI * CGITissue / PGI |
| _J3 | APlasma | AGITissue | QGI * CPlasma |
| _J4 | APlasma | ALiver | QL * CPlasma |
| _J5 | ALiver | APlasma | (QL + QGI) * CLiver / PL |
| _J6 | APlasma | ARest | QRest * CPlasma |
| _J7 | ARest | APlasma | QRest * CRest / PRest |
| _J8 | APlasma | APlasmaMet | CLintB * CPlasma |
| _J9 | APlasma | AUrine | CLU * APlasma |
| _J10 | ALiver | ALiverMet | CLintL * (CLiver / PL) |
ODEs
\(\frac{d[\mathtt{ASt}]}{dt} = - \mathit{ksto}\cdot \mathit{ASt}\)
\(\frac{d[\mathtt{ADuodenum}]}{dt} = \mathit{ksto}\cdot \mathit{ASt} - \mathit{kabs}\cdot \mathit{ADuodenum}\)
\(\frac{d[\mathtt{AGITissue}]}{dt} = \mathit{kabs}\cdot \mathit{ADuodenum} - \frac{\mathit{QGI}\cdot \mathit{CGITissue}}{\mathit{PGI}} + \mathit{QGI}\cdot \mathit{CPlasma}\)
\(\frac{d[\mathtt{ALiver}]}{dt} = \frac{\mathit{QGI}\cdot \mathit{CGITissue}}{\mathit{PGI}} + \mathit{QL}\cdot \mathit{CPlasma} - \frac{(\mathit{QL}+\mathit{QGI})\cdot \mathit{CLiver}}{\mathit{PL}} - \mathit{CLintL}\cdot \frac{\mathit{CLiver}}{\mathit{PL}}\)
\(\frac{d[\mathtt{APlasma}]}{dt} = - \mathit{QGI}\cdot \mathit{CPlasma} - \mathit{QL}\cdot \mathit{CPlasma} + \frac{(\mathit{QL}+\mathit{QGI})\cdot \mathit{CLiver}}{\mathit{PL}} - \mathit{QRest}\cdot \mathit{CPlasma} + \frac{\mathit{QRest}\cdot \mathit{CRest}}{\mathit{PRest}} - \mathit{CLintB}\cdot \mathit{CPlasma} - \mathit{CLU}\cdot \mathit{APlasma}\)
\(\frac{d[\mathtt{ARest}]}{dt} = \mathit{QRest}\cdot \mathit{CPlasma} - \frac{\mathit{QRest}\cdot \mathit{CRest}}{\mathit{PRest}}\)
\(\frac{d[\mathtt{ALiverMet}]}{dt} = \mathit{CLintL}\cdot \frac{\mathit{CLiver}}{\mathit{PL}}\)
\(\frac{d[\mathtt{APlasmaMet}]}{dt} = \mathit{CLintB}\cdot \mathit{CPlasma}\)
\(\frac{d[\mathtt{AUrine}]}{dt} = \mathit{CLU}\cdot \mathit{APlasma}\)
Assignment rules
| variable | assignment |
|---|---|
| VL | VLC * BW |
| VGITissue | VGITissueC * BW |
| VUrine | VUrineC * BW / 24 / 1000 |
| VRest | 0.84 * BW - VL - VGITissue - VPlasma |
| QCPlasma | QC * (1 - Hct) |
| QGI | QGIc * QC |
| QL | QLc * QC |
| QRest | QCPlasma - QL - QGI |
| CLintL | CLintLC * VL |
| CLUC | GFR |
| CLU | Free * GFR |
| CGITissue | AGITissue / GITissue |
| CLiver | ALiver / Liver |
| CPlasma | APlasma / Plasma |
| CRest | ARest / Rest |
| CUrine | AUrine / Urine |
| Met | CLintL * (CLiver / PL) |
Initial assignments
| variable | assignment |
|---|---|
| GITissue | VGITissue |
| Liver | VL |
| Plasma | VPlasma |
| Rest | VRest |
| Urine | VUrine |
Parameters
| id | name | unit | model qualifier |
|---|---|---|---|
| MW | not specified | not specified | not specified |
| BW | not specified | not specified | not specified |
| VLC | not specified | not specified | not specified |
| VGITissueC | not specified | not specified | not specified |
| VL | not specified | not specified | not specified |
| VGITissue | not specified | not specified | not specified |
| VPlasma | not specified | not specified | not specified |
| VUrineC | not specified | not specified | not specified |
| VUrine | not specified | not specified | not specified |
| VRest | not specified | not specified | not specified |
| QC | not specified | not specified | not specified |
| Hct | not specified | not specified | not specified |
| QCPlasma | not specified | not specified | not specified |
| QGIc | not specified | not specified | not specified |
| QLc | not specified | not specified | not specified |
| QGI | not specified | not specified | not specified |
| QL | not specified | not specified | not specified |
| QRest | not specified | not specified | not specified |
| PL | not specified | not specified | not specified |
| PGI | not specified | not specified | not specified |
| PRest | not specified | not specified | not specified |
| ksto | not specified | not specified | not specified |
| kabs | not specified | not specified | not specified |
| Fa | not specified | not specified | not specified |
| CLintLC | not specified | not specified | not specified |
| CLintL | not specified | not specified | not specified |
| CLintB | not specified | not specified | not specified |
| Free | not specified | not specified | not specified |
| GFR | not specified | not specified | not specified |
| CLUC | not specified | not specified | not specified |
| CLU | not specified | not specified | not specified |
| CGITissue | not specified | not specified | not specified |
| CLiver | not specified | not specified | not specified |
| CPlasma | not specified | not specified | not specified |
| CRest | not specified | not specified | not specified |
| CUrine | not specified | not specified | not specified |
| Met | not specified | not specified | not specified |