AA Release Event
The liberation of free AA from the phospholipid membrane. As this reaction is performed by a multitude of isoforms of PLA2, all with unique kinetics, this reaction was simplified.
In this reaction there are parameters which can be manually adapted depending on the in silico experiment. This means that the value of these parameters can change throughout the simulation unlike other parameters which, once assigned, remain fixed for the entire model variant. These parameters have no molecular meaning but were included in order to allow the user to manually adapt the model to represent different scenarios, such as different treatments.
Reaction
Rate equation
Parameters
| Parameter Name | Parameter Shorthand | Initial Value | Justification |
|---|---|---|---|
| Doubling time of the AA event | AADT | 420 min | AA was set to be released for 6h, as this was the length of the inflammatory window in the modelled system. This value was not changed in the modelled scenarios. |
| Maximum concentration of AA | c | 0 mM | The adapted value of this parameter depends on the scenario (Table *). This value changes 60 min into the simulation for all scenarios. |
| Decay switch | c2 | 0 | If required the production of AA can decrease over time by amending this value from 0 to 1. This was set to 0 in all scenarios. |
| Half-life of the AA event | AAHL | 420 min | This value was arbitrarily set at 420 min. However, no simulations required AA release to decrease over time. |
| In silico experiment | HaCaT keratinocyte + A23187 | 46BR.1N fibroblast +A23187 | HaCaT keratinocyte + Indomethacin and A23187 | 46BR.1N fibroblast + Indomethacin and A23187 | HaCaT keratinocyte + ATP | 46BR.1N fibroblast + ATP | HaCaT keratinocyte + UVR | 46BR.1N fibroblast + UVR |
|---|---|---|---|---|---|---|---|---|
| Σ AA released (pg/million cells) | 2.03 x106 | 5.43 x105 | 1.64 x106 | 2.11 x105 | 8.43 x105 | 3.29 x104 | 1.80 x106 | 4.30 x105 |
| Σ AA released (mM) | 5.77 x10-4 | 1.54 x10-4 | 4.65 x10-4 | 6.00 x10-5 | 2.40 x10-4 | 9.36 x10-6 | 5.11 x10-4 | 1.22E x10-4 |
