|
|
| Line 3: |
Line 3: |
| | The “Solver script” described the log-normal distributions of uncertain parameters and solves the ODEs. To begin the script, the number of model variants were defined (section 1). For each uncertain parameter, a parameter distribution was generated based upon the µ and σ defined in section * (section 3). For parameters which were thermodynamically connected, multivariate distributions were created (section 4). From these distributions, parameter values were randomly selected to generate unique parameter sets for every model variant (section 5). In the latter half of the “Solver script”, the event parameters are assigned a value and a time at which it changes, and the initial concentration of every metabolite is set (section 6). The ODEs are then solved using MATLABs inbuilt stiff ordinary differential equation solver, ode15 (section 5). The result of these models was then defined as failed if the numerical values cannot be calculated by the solver, as abnormal if the concentration of certain metabolites went below zero, and normal if not (section 6). The choice of metabolite is user defined and for the purposes of this model was arbitrarily set as PGE2. The models which were classified as normal were then analysed. | | The “Solver script” described the log-normal distributions of uncertain parameters and solves the ODEs. To begin the script, the number of model variants were defined (section 1). For each uncertain parameter, a parameter distribution was generated based upon the µ and σ defined in section * (section 3). For parameters which were thermodynamically connected, multivariate distributions were created (section 4). From these distributions, parameter values were randomly selected to generate unique parameter sets for every model variant (section 5). In the latter half of the “Solver script”, the event parameters are assigned a value and a time at which it changes, and the initial concentration of every metabolite is set (section 6). The ODEs are then solved using MATLABs inbuilt stiff ordinary differential equation solver, ode15 (section 5). The result of these models was then defined as failed if the numerical values cannot be calculated by the solver, as abnormal if the concentration of certain metabolites went below zero, and normal if not (section 6). The choice of metabolite is user defined and for the purposes of this model was arbitrarily set as PGE2. The models which were classified as normal were then analysed. |
| | | | |
| − | % Solver Script
| + | = Script = |
| − |
| |
| − | tic;
| |
| − |
| |
| − | %% Section 1: Define number of model variants
| |
| − | ParamNo = 2;
| |
| − |
| |
| − | %% Section 2: Assignment of parameters as global
| |
| − | global KmsR1 KmpR1 PLA2Kcat KeqR1 KmsR2 KmpR2 COX2Kcat KeqR2 KmsR3 KmpR3 PGFSKcat KeqR3 KmsR4 KmpR4 TXASKcat KeqR4 KmsR5 KmpR5 PGISKcat KeqR5 KfR6 KrR6 KfR7 KrR7 KfR8 KrR8 KfR9 KrR9 KmsR10 KmpR10 PGESKcat KeqR10 KmsR11 KmpR11 LOX5Kcat KeqR11 KmsR12 KmpR12 PHGPxKcatR12 KeqR12 KmsR13 KmpR13 LOX5FLAPKcat KeqR13 KmsR14 KmpR14 HEDH5Kcat KeqR14 KmsR15 KmpR15 LTA4HKcat KeqR15 KmsR16 KmpR16 LTC4SKcat KeqR16 KmsR17 KmpR17 LOX15Kcat KeqR17 KmsR19 KmpR19 LOX12Kcat KeqR19 KmsR21 KmpR21 PGDSKcat KeqR21 KmsR65 KmpR65 COX1Kcat KeqR65 KmsR66 KmpR66 PGDH15Kcat KeqR66 KmsR69 KmpR69 PTGR2Kcat KeqR69 ABCKcat KfR44 KfR45 KfR46 KfR47 KfR48 KfR49 KfR50 KfR51 KfR52 KfR53 KfR54 KfR55 KfR56 KfR57 KfR58 KfR59 KfR60 KfR61 KfR62 KfR63 KfR64 KfR68 KfR71 KmsR100 KmpR100 LATKcat KeqR100 ABCKmR22 ABCKmR23 ABCKmR24 ABCKmR25 ABCKmR26 ABCKmR27 ABCKmR28 ABCKmR29 ABCKmR30 ABCKmR31 ABCKmR32 ABCKmR33 ABCKmR34 ABCKmR35 ABCKmR36 ABCKmR37 ABCKmR38 ABCKmR39 ABCKmR40 ABCKmR41 ABCKmR42 ABCKmR67 ABCKmR70 c c2 c3 c4 PGTKcat PGTKmR101 PGTKmR102 PGTKmR103 PGTKmR104 PGTKmR105 PGTKmR106 PGTKmR107 PGTKmR108 PGTKmR109 PGTKmR110 PGTKmR111 KmsR18 KmpR18 PHGPxKcatR18 KeqR18 KmsR20 KmpR20 PHGPxKcatR20 KeqR20 PGDH15 ABC COX1 HEDH5 LOX12 LOX15 LOX5 LTA4H LTC4S PGDS PGES PGFS PGIS PGT PHGPX PLA2 PTGR2 TXAS
| |
| − |
| |
| − | %% Section 3: Description of the parameter distributions
| |
| − |
| |
| − | % KmsR1
| |
| − | KmsR1_mu =-2.414 ;
| |
| − | KmsR1_sigma= 0.73487;
| |
| − |
| |
| − | % KmpR1
| |
| − | KmpR1_mu = -2.414;
| |
| − | KmpR1_sigma =0.73487;
| |
| − |
| |
| − | % PLA2Kcat
| |
| − | PLA2Kcat_mu =8.6294;
| |
| − | PLA2Kcat_sigma=0.76932;
| |
| − |
| |
| − | % KeqR1
| |
| − | KeqR1_mu=22.83;
| |
| − | KeqR1_sigma =0.89;
| |
| − |
| |
| − | % KmsR2
| |
| − | KmsR2_mu=-4.7218;
| |
| − | KmsR2_sigma=0.77682;
| |
| − |
| |
| − | % KmpR2
| |
| − | KmpR2_mu=-4.7218;
| |
| − | KmpR2_sigma=0.77682;
| |
| − |
| |
| − | % COX2Kcat
| |
| − | COX2Kcat_mu=8.6976;
| |
| − | COX2Kcat_sigma=1.1445;
| |
| − |
| |
| − | % KeqR2
| |
| − | KeqR2_mu=66.70;
| |
| − | KeqR2_sigma=0.89;
| |
| − |
| |
| − | % KmsR3
| |
| − | KmsR3_mu=-2.8238;
| |
| − | KmsR3_sigma=1.1815;
| |
| − |
| |
| − | % KmpR3
| |
| − | KmpR3_mu=-2.8238;
| |
| − | KmpR3_sigma=1.1815;
| |
| − |
| |
| − | % PGFSKcat
| |
| − | PGFSKcat_mu=3.4597;
| |
| − | PGFSKcat_sigma=0.8715;
| |
| − |
| |
| − | % KeqR3
| |
| − | KeqR3_mu=12.01;
| |
| − | KeqR3_sigma=0.89;
| |
| − |
| |
| − | % KmsR4
| |
| − | KmsR4_mu=-3.9721;
| |
| − | KmsR4_sigma=0.78374;
| |
| − |
| |
| − | % KmpR4
| |
| − | KmpR4_mu=-3.9721;
| |
| − | KmpR4_sigma=0.78374;
| |
| − |
| |
| − | % TXASKcat
| |
| − | TXASKcat_mu=8.0056;
| |
| − | TXASKcat_sigma=0.76923;
| |
| − |
| |
| − | % KeqR4
| |
| − | KeqR4_mu=0.73;
| |
| − | KeqR4_sigma=0.89;
| |
| − |
| |
| − | % KmsR5
| |
| − | KmsR5_mu=-4.22;
| |
| − | KmsR5_sigma= 0.42;
| |
| − |
| |
| − | % KmpR5
| |
| − | KmpR5_mu=-4.22;
| |
| − | KmpR5_sigma= 0.42;
| |
| − |
| |
| − | % PGISKcat
| |
| − | PGISKcat_mu=5.5206;
| |
| − | PGISKcat_sigma=0.7783;
| |
| − |
| |
| − | % KeqR5
| |
| − | KeqR5_mu=0.73;
| |
| − | KeqR5_sigma=0.89;
| |
| − |
| |
| − | % KfR6
| |
| − | KfR6_mu=5.598;
| |
| − | KfR6_sigma=1.2535;
| |
| − |
| |
| − | % KrR6
| |
| − | KrR6_mu=5.598;
| |
| − | KrR6_sigma=1.27;
| |
| − |
| |
| − | % KfR7
| |
| − | KfR7_mu=5.598;
| |
| − | KfR7_sigma=1.2535;
| |
| − |
| |
| − | % KrR7
| |
| − | KrR7_mu= 5.598;
| |
| − | KrR7_sigma=1.27;
| |
| − |
| |
| − | % KfR8
| |
| − | KfR8_mu=1.573;
| |
| − | KfR8_sigma=0.9131;
| |
| − |
| |
| − | % KrR8
| |
| − | KrR8_mu=1.573;
| |
| − | KrR8_sigma=0.93;
| |
| − |
| |
| − | % KfR9
| |
| − | KfR9_mu=1.573;
| |
| − | KfR9_sigma=0.9131;
| |
| − |
| |
| − | % KrR9
| |
| − | KrR9_mu=1.573;
| |
| − | KrR9_sigma=0.93;
| |
| − |
| |
| − | % KmsR10
| |
| − | KmsR10_mu=-1.1569;
| |
| − | KmsR10_sigma=0.69253;
| |
| − |
| |
| − | % KmpR10
| |
| − | KmpR10_mu=-1.1569;
| |
| − | KmpR10_sigma=0.69253;
| |
| − |
| |
| − | % PGESKcat
| |
| − | PGESKcat_mu=8.7371;
| |
| − | PGESKcat_sigma=0.87137;
| |
| − |
| |
| − | % KeqR10
| |
| − | KeqR10_mu=12.01;
| |
| − | KeqR10_sigma=0.89;
| |
| − |
| |
| − | % KmsR11
| |
| − | KmsR11_mu=-3.6362;
| |
| − | KmsR11_sigma=0.85032;
| |
| − |
| |
| − | % KmpR11
| |
| − | KmpR11_mu=-3.6362;
| |
| − | KmpR11_sigma=0.85032;
| |
| − |
| |
| − | % LOX5Kcat
| |
| − | LOX5Kcat_mu=7.8959;
| |
| − | LOX5Kcat_sigma=0.76891;
| |
| − |
| |
| − | % KeqR11
| |
| − | KeqR11_mu=119.05;
| |
| − | KeqR11_sigma=0.89;
| |
| − |
| |
| − | % KmsR12
| |
| − | KmsR12_mu=2.5397;
| |
| − | KmsR12_sigma=1.9193;
| |
| − |
| |
| − | % KmpR12
| |
| − | KmpR12_mu=2.5397;
| |
| − | KmpR12_sigma=1.9193;
| |
| − |
| |
| − | % PHGPxKcatR12
| |
| − | PHGPxKcatR12_mu=11.348;
| |
| − | PHGPxKcatR12_sigma=1.1171;
| |
| − |
| |
| − | % KeqR12
| |
| − | KeqR12_mu=46.32;
| |
| − | KeqR12_sigma=0.89;
| |
| − |
| |
| − | % KmsR13
| |
| − | KmsR13_mu=-3.6362;
| |
| − | KmsR13_sigma=0.85032;
| |
| − |
| |
| − | % KmpR13
| |
| − | KmpR13_mu=-3.6362;
| |
| − | KmpR13_sigma=0.85032;
| |
| − |
| |
| − | % LOX5FLAPKcat
| |
| − | LOX5FLAPKcat_mu=7.8959;
| |
| − | LOX5FLAPKcat_sigma=0.76891;
| |
| − |
| |
| − | % KeqR13
| |
| − | KeqR13_mu=146.13;
| |
| − | KeqR13_sigma=0.89;
| |
| − |
| |
| − | % KmsR14
| |
| − | KmsR14_mu=-6.3091;
| |
| − | KmsR14_sigma=1.027;
| |
| − |
| |
| − | % KmpR14
| |
| − | KmpR14_mu=-6.3091;
| |
| − | KmpR14_sigma=1.027;
| |
| − |
| |
| − | % HEDH5Kcat
| |
| − | HEDH5Kcat_mu=10.92;
| |
| − | HEDH5Kcat_sigma=1.2544;
| |
| − |
| |
| − | % KeqR14
| |
| − | KeqR14_mu=-1.3917;
| |
| − | KeqR14_sigma=0.89;
| |
| − |
| |
| − | % KmsR15
| |
| − | KmsR15_mu=-5.51;
| |
| − | KmsR15_sigma=0.6994;
| |
| − |
| |
| − | % KmpR15
| |
| − | KmpR15_mu=-5.51;
| |
| − | KmpR15_sigma=0.72;
| |
| − |
| |
| − | % LTA4HKcat
| |
| − | LTA4HKcat_mu=3.8938;
| |
| − | LTA4HKcat_sigma=0.7364;
| |
| − |
| |
| − | % KeqR15
| |
| − | KeqR15_mu=6.93;
| |
| − | KeqR15_sigma=0.89;
| |
| − |
| |
| − | % KmsR16
| |
| − | KmsR16_mu=-2.83;
| |
| − | KmsR16_sigma=0.79;
| |
| − |
| |
| − | % KmpR16
| |
| − | KmpR16_mu=-2.83;
| |
| − | KmpR16_sigma=0.79;
| |
| − |
| |
| − | % LTC4SKcat
| |
| − | LTC4SKcat_mu=7.4011;
| |
| − | LTC4SKcat_sigma=0.3294;
| |
| − |
| |
| − | % KeqR16
| |
| − | KeqR16_mu=-15.99;
| |
| − | KeqR16_sigma=0.89;
| |
| − |
| |
| − | % KmsR17
| |
| − | KmsR17_mu=-4.42;
| |
| − | KmsR17_sigma=0.41;
| |
| − |
| |
| − | % KmpR17
| |
| − | KmpR17_mu=-4.42;
| |
| − | KmpR17_sigma=0.41;
| |
| − |
| |
| − | % LOX15Kcat
| |
| − | LOX15Kcat_mu=4.6;
| |
| − | LOX15Kcat_sigma=0.65;
| |
| − |
| |
| − | % KeqR17
| |
| − | KeqR17_mu=119.05;
| |
| − | KeqR17_sigma=0.89;
| |
| − |
| |
| − | % KmsR19
| |
| − | KmsR19_mu=-4.48;
| |
| − | KmsR19_sigma=0.63;
| |
| − |
| |
| − | % KmpR19
| |
| − | KmpR19_mu=-4.48;
| |
| − | KmpR19_sigma=0.63;
| |
| − |
| |
| − | % LOX12Kcat
| |
| − | LOX12Kcat_mu=6.2203;
| |
| − | LOX12Kcat_sigma=0.1796;
| |
| − |
| |
| − | % KeqR19
| |
| − | KeqR19_mu=119.05;
| |
| − | KeqR19_sigma=0.89;
| |
| − |
| |
| − | % % KmsR21 previous PGDS Km
| |
| − | % KmsR21_mu=-5.0503;
| |
| − | % KmsR21_sigma=0.68523;
| |
| − | %
| |
| − | % % KmpR21 previous PGDS Km
| |
| − | % KmpR21_mu=-5.0503;
| |
| − | % KmpR21_sigma=0.68523;
| |
| − |
| |
| − | % KmsR21
| |
| − | KmsR21_mu=-3.97;
| |
| − | KmsR21_sigma=0.58;
| |
| − |
| |
| − | % KmpR21
| |
| − | KmpR21_mu=-3.97;
| |
| − | KmpR21_sigma=0.58;
| |
| − |
| |
| − | % PGDSKcat
| |
| − | PGDSKcat_mu=5.1;
| |
| − | PGDSKcat_sigma=0.2;
| |
| − |
| |
| − | % KeqR21
| |
| − | KeqR21_mu=12.01;
| |
| − | KeqR21_sigma=0.89;
| |
| − |
| |
| − | % KmsR65
| |
| − | KmsR65_mu=-4.59;
| |
| − | KmsR65_sigma=0.45;
| |
| − |
| |
| − | % KmpR65
| |
| − | KmpR65_mu=-4.59;
| |
| − | KmpR65_sigma=0.45;
| |
| − |
| |
| − | % COX1Kcat
| |
| − | COX1Kcat_mu=9.0856;
| |
| − | COX1Kcat_sigma=0.0408;
| |
| − |
| |
| − | % KeqR65
| |
| − | KeqR65_mu=66.7;
| |
| − | KeqR65_sigma=0.89;
| |
| − |
| |
| − | % KmsR66
| |
| − | KmsR66_mu=-4.4125;
| |
| − | KmsR66_sigma=0.68004;
| |
| − |
| |
| − | % KmpR66
| |
| − | KmpR66_mu=-4.4125;
| |
| − | KmpR66_sigma=0.68004;
| |
| − |
| |
| − | % PGDH15Kcat
| |
| − | PGDH15Kcat_mu=7.1911;
| |
| − | PGDH15Kcat_sigma=0.70075;
| |
| − |
| |
| − | % KeqR66
| |
| − | KeqR66_mu=1.5825;
| |
| − | KeqR66_sigma=0.8911;
| |
| − |
| |
| − | % KmsR69
| |
| − | KmsR69_mu=-3.9721;
| |
| − | KmsR69_sigma=0.6709;
| |
| − |
| |
| − | % KmpR69
| |
| − | KmpR69_mu=-3.9721;
| |
| − | KmpR69_sigma=0.6709;
| |
| − |
| |
| − | % PTGR2Kcat
| |
| − | PTGR2Kcat_mu=3.2194;
| |
| − | PTGR2Kcat_sigma=0.88713;
| |
| − |
| |
| − | % KeqR69
| |
| − | KeqR69_mu=-5.2902;
| |
| − | KeqR69_sigma=0.8911;
| |
| − |
| |
| − | % ABCKcat
| |
| − | ABCKcat_mu=0.92;
| |
| − | ABCKcat_sigma=0.8;
| |
| − |
| |
| − | % KfR44
| |
| − | KfR44_mu=-6.1137;
| |
| − | KfR44_sigma=0.89;
| |
| − |
| |
| − | % KfR45
| |
| − | KfR45_mu=-2.5583;
| |
| − | KfR45_sigma=0.89;
| |
| − |
| |
| − | % KfR46
| |
| − | KfR46_mu=1.526;
| |
| − | KfR46_sigma=0.89;
| |
| − |
| |
| − | % KfR47
| |
| − | KfR47_mu=-0.6713;
| |
| − | KfR47_sigma=0.89;
| |
| − |
| |
| − | % KfR48
| |
| − | KfR48_mu=0.784;
| |
| − | KfR48_sigma=0.89;
| |
| − |
| |
| − | % KfR49
| |
| − | KfR49_mu=-6.1137;
| |
| − | KfR49_sigma=0.89;
| |
| − |
| |
| − | % KfR50
| |
| − | KfR50_mu=-6.1137;
| |
| − | KfR50_sigma=0.89;
| |
| − |
| |
| − | % KfR51
| |
| − | KfR51_mu=-6.1137;
| |
| − | KfR51_sigma=0.89;
| |
| − |
| |
| − | % KfR52
| |
| − | KfR52_mu=0.0219;
| |
| − | KfR52_sigma=0.89;
| |
| − |
| |
| − | % KfR53 - check
| |
| − | KfR53_mu=-1.1792;
| |
| − | KfR53_sigma=0.89;
| |
| − |
| |
| − | % KfR54
| |
| − | KfR54_mu=-1.9548;
| |
| − | KfR54_sigma=0.89;
| |
| − |
| |
| − | % KfR55
| |
| − | KfR55_mu=-2.6172;
| |
| − | KfR55_sigma=0.89;
| |
| − |
| |
| − | % KfR56
| |
| − | KfR56_mu=1.1827;
| |
| − | KfR56_sigma=0.89;
| |
| − |
| |
| − | % KfR57
| |
| − | KfR57_mu=1.1827;
| |
| − | KfR57_sigma=0.89;
| |
| − |
| |
| − | % KfR58
| |
| − | KfR58_mu=3.4233;
| |
| − | KfR58_sigma=0.89;
| |
| − |
| |
| − | % KfR59
| |
| − | KfR59_mu=1.1205;
| |
| − | KfR59_sigma=0.89;
| |
| − |
| |
| − | % KfR60
| |
| − | KfR60_mu=-2.6172;
| |
| − | KfR60_sigma=0.89;
| |
| − |
| |
| − | % KfR61
| |
| − | KfR61_mu=1.1205;
| |
| − | KfR61_sigma=0.89;
| |
| − |
| |
| − | % KfR62
| |
| − | KfR62_mu=-4.7274;
| |
| − | KfR62_sigma=0.89;
| |
| − |
| |
| − | % KfR63
| |
| − | KfR63_mu=1.1205;
| |
| − | KfR63_sigma=0.89;
| |
| − |
| |
| − | % KfR64
| |
| − | KfR64_mu=-5.0151;
| |
| − | KfR64_sigma=0.89;
| |
| − |
| |
| − | % KfR68
| |
| − | KfR68_mu=-4.1678;
| |
| − | KfR68_sigma=0.89;
| |
| − |
| |
| − | % KfR71
| |
| − | KfR71_mu=-4.1678;
| |
| − | KfR71_sigma=0.89;
| |
| − |
| |
| − | % KmsR100
| |
| − | KmsR100_mu=1.30;
| |
| − | KmsR100_sigma=1.30;
| |
| − |
| |
| − | % KmpR100
| |
| − | KmpR100_mu=1.30;
| |
| − | KmpR100_sigma=1.30;
| |
| − |
| |
| − | % LATKcat
| |
| − | LATKcat_mu=3.31;
| |
| − | LATKcat_sigma=0.94;
| |
| − |
| |
| − | % KeqR100
| |
| − | KeqR100_mu=24.4512;
| |
| − | KeqR100_sigma=0.89;
| |
| − |
| |
| − | % ABCKmR22
| |
| − | ABCKmR22_mu=-2.6011;
| |
| − | ABCKmR22_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR23
| |
| − | ABCKmR23_mu=-2.6011;
| |
| − | ABCKmR23_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR24
| |
| − | ABCKmR24_mu=-2.6011;
| |
| − | ABCKmR24_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR25
| |
| − | ABCKmR25_mu=-2.6011;
| |
| − | ABCKmR25_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR26
| |
| − | ABCKmR26_mu=-2.6011;
| |
| − | ABCKmR26_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR27
| |
| − | ABCKmR27_mu=-2.6011;
| |
| − | ABCKmR27_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR28
| |
| − | ABCKmR28_mu=-2.6011;
| |
| − | ABCKmR28_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR29
| |
| − | ABCKmR29_mu=-2.6011;
| |
| − | ABCKmR29_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR30
| |
| − | ABCKmR30_mu=-2.6011;
| |
| − | ABCKmR30_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR31
| |
| − | ABCKmR31_mu=-2.6011;
| |
| − | ABCKmR31_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR32
| |
| − | ABCKmR32_mu=-2.6011;
| |
| − | ABCKmR32_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR33
| |
| − | ABCKmR33_mu=-2.6011;
| |
| − | ABCKmR33_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR34
| |
| − | ABCKmR34_mu=4.0130;
| |
| − | ABCKmR34_sigma=0.89;
| |
| − |
| |
| − | % ABCKmR35
| |
| − | ABCKmR35_mu=-2.6011;
| |
| − | ABCKmR35_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR36
| |
| − | ABCKmR36_mu=-2.6011;
| |
| − | ABCKmR36_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR37
| |
| − | ABCKmR37_mu=-2.6011;
| |
| − | ABCKmR37_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR38
| |
| − | ABCKmR38_mu=-2.6011;
| |
| − | ABCKmR38_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR39
| |
| − | ABCKmR39_mu=-2.6011;
| |
| − | ABCKmR39_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR40
| |
| − | ABCKmR40_mu=-2.6011;
| |
| − | ABCKmR40_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR41
| |
| − | ABCKmR41_mu=-2.6011;
| |
| − | ABCKmR41_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR42
| |
| − | ABCKmR42_mu=4.0130;
| |
| − | ABCKmR42_sigma=0.89;
| |
| − |
| |
| − | % ABCKmR67
| |
| − | ABCKmR67_mu=-2.6011;
| |
| − | ABCKmR67_sigma=1.1244;
| |
| − |
| |
| − | % ABCKmR70
| |
| − | ABCKmR70_mu=-2.6011;
| |
| − | ABCKmR70_sigma=1.1244;
| |
| − |
| |
| − | % PGTKcat
| |
| − | PGTKcat_mu=0.92;
| |
| − | PGTKcat_sigma=0.8;
| |
| − |
| |
| − | % PGTKmR101
| |
| − | PGTKmR101_mu=-4.67;
| |
| − | PGTKmR101_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR102
| |
| − | PGTKmR102_mu=-4.67;
| |
| − | PGTKmR102_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR103
| |
| − | PGTKmR103_mu=-4.67;
| |
| − | PGTKmR103_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR104
| |
| − | PGTKmR104_mu=-4.67;
| |
| − | PGTKmR104_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR105
| |
| − | PGTKmR105_mu=-4.67;
| |
| − | PGTKmR105_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR106
| |
| − | PGTKmR106_mu=-4.67;
| |
| − | PGTKmR106_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR107
| |
| − | PGTKmR107_mu=-4.67;
| |
| − | PGTKmR107_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR108
| |
| − | PGTKmR108_mu=-4.67;
| |
| − | PGTKmR108_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR109
| |
| − | PGTKmR109_mu=-4.67;
| |
| − | PGTKmR109_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR110
| |
| − | PGTKmR110_mu=-4.67;
| |
| − | PGTKmR110_sigma=1.45;
| |
| − |
| |
| − | % PGTKmR111
| |
| − | PGTKmR111_mu=-4.67;
| |
| − | PGTKmR111_sigma=1.45;
| |
| − |
| |
| − | % KmsR18
| |
| − | KmsR18_mu=2.54;
| |
| − | KmsR18_sigma=1.92;
| |
| − |
| |
| − | % KmpR18
| |
| − | KmpR18_mu=2.54;
| |
| − | KmpR18_sigma=1.92;
| |
| − |
| |
| − | % PHGPxKcatR18
| |
| − | PHGPxKcatR18_mu=11.2;
| |
| − | PHGPxKcatR18_sigma=1.05;
| |
| − |
| |
| − | % KeqR18
| |
| − | KeqR18_mu=46.32;
| |
| − | KeqR18_sigma=0.89;
| |
| − |
| |
| − | % KmsR20
| |
| − | KmsR20_mu=2.54;
| |
| − | KmsR20_sigma=1.92;
| |
| − |
| |
| − | % KmpR20
| |
| − | KmpR20_mu=2.54;
| |
| − | KmpR20_sigma=1.92;
| |
| − |
| |
| − | % PHGPxKcatR20
| |
| − | PHGPxKcatR20_mu=11.2;
| |
| − | PHGPxKcatR20_sigma=1.05;
| |
| − |
| |
| − | % KeqR20
| |
| − | KeqR20_mu=46.32;
| |
| − | KeqR20_sigma=0.89;
| |
| − |
| |
| − | % PGDH15
| |
| − | PGDH15_mu=-9.2304;
| |
| − | PGDH15_sigma=6.77E-01;
| |
| − |
| |
| − | % ABC
| |
| − | ABC_mu=0.498;
| |
| − | ABC_sigma=3.32E-01;
| |
| − |
| |
| − | % COX1 Original
| |
| − | COX1_mu=-6.4411;
| |
| − | COX1_sigma=8.92E-01;
| |
| − |
| |
| − | % COX1 Inhibitor
| |
| − | % COX1_mu=-8.7442;
| |
| − | % COX1_sigma=8.92E-01;
| |
| − |
| |
| − | % % COX1 Inhibitor v2 1e-28
| |
| − | % COX1_mu= -64.4634;
| |
| − | % COX1_sigma=0.0949;
| |
| − | % %
| |
| − | %
| |
| − | % HEDH5
| |
| − | HEDH5_mu=-5.3937;
| |
| − | HEDH5_sigma=5.88E-01;
| |
| − |
| |
| − | % LOX12
| |
| − | LOX12_mu=-11.1002;
| |
| − | LOX12_sigma=1.19E+00;
| |
| − |
| |
| − | % LOX15
| |
| − | LOX15_mu=-9.8003;
| |
| − | LOX15_sigma=9.46E-01;
| |
| − |
| |
| − | % LOX5 Original
| |
| − | LOX5_mu=-8.0196;
| |
| − | LOX5_sigma=4.21E-01;
| |
| − |
| |
| − | % % LOX5 Inhibitor
| |
| − | % LOX5_mu=-10.3227;
| |
| − | % LOX5_sigma=4.21E-01;
| |
| − |
| |
| − | % LTA4H
| |
| − | LTA4H_mu=-5.8727;
| |
| − | LTA4H_sigma=1.99E-01;
| |
| − |
| |
| − | % LTC4S
| |
| − | LTC4S_mu=-8.5995;
| |
| − | LTC4S_sigma=3.36E-01;
| |
| − |
| |
| − | % PGDS
| |
| − | PGDS_mu=-7.7018;
| |
| − | PGDS_sigma=4.30E-01;
| |
| − |
| |
| − | % % PGES - Generic
| |
| − | % PGES_mu=-6.458;
| |
| − | % PGES_sigma=9.67E-01;
| |
| − |
| |
| − | % PGES - HaCaT
| |
| − | PGES_mu=-6.9944;
| |
| − | PGES_sigma= 0.0949;
| |
| − |
| |
| − | % % PGES 46BR.1N
| |
| − | % PGES_mu=-7.762559512;
| |
| − | % PGES_sigma=0.66975987;
| |
| − |
| |
| − | % PGFS
| |
| − | PGFS_mu=-7.5675;
| |
| − | PGFS_sigma=6.02E-01;
| |
| − |
| |
| − | % PGIS
| |
| − | PGIS_mu=-6.4411;
| |
| − | PGIS_sigma=8.92E-01;
| |
| − |
| |
| − | % PGT
| |
| − | PGT_mu=-8.202;
| |
| − | PGT_sigma=1.02E+00;
| |
| − |
| |
| − | % PHGPX
| |
| − | PHGPX_mu=-6.2899;
| |
| − | PHGPX_sigma=2.96E-01;
| |
| − |
| |
| − | % PLA2
| |
| − | PLA2_mu=-7.712;
| |
| − | PLA2_sigma=1.27E+00;
| |
| − |
| |
| − | % PTGR2
| |
| − | PTGR2_mu=-6.6178;
| |
| − | PTGR2_sigma=1.09E+00;
| |
| − |
| |
| − | % TXAS
| |
| − | TXAS_mu=-6.4427;
| |
| − | TXAS_sigma=1.16E+00;
| |
| − |
| |
| − | %% Section 4: Generate distributions/multivariate distributions for each parameter/parameter sets
| |
| − |
| |
| − | % Reaction 1
| |
| − | [KeqR1, KmsR1, KmpR1, PLA2Kcat] = Multikcat5f(KeqR1_mu, KeqR1_sigma, KmsR1_mu, KmsR1_sigma, KmpR1_mu, KmpR1_sigma, PLA2Kcat_mu, PLA2Kcat_sigma, ParamNo, 4.57E-05);
| |
| − |
| |
| − | % Reaction 2
| |
| − | [KeqR2, KmsR2, KmpR2, COX2Kcat] = Multikcat5f(KeqR2_mu, KeqR2_sigma, KmsR2_mu, KmsR2_sigma, KmpR2_mu, KmpR2_sigma, COX2Kcat_mu, COX2Kcat_sigma, ParamNo, 2.27E-05);
| |
| − |
| |
| − | % REACTION 3
| |
| − | [KeqR3, KmsR3, KmpR3, PGFSKcat] = Multikcat5f(KeqR3_mu, KeqR3_sigma, KmsR3_mu, KmsR3_sigma, KmpR3_mu, KmpR3_sigma, PGFSKcat_mu, PGFSKcat_sigma, ParamNo, 4.02E-04);
| |
| − |
| |
| − | % REACTION 4
| |
| − | [KeqR4, KmsR4, KmpR4, TXASKcat] = Multikcat5f(KeqR4_mu, KeqR4_sigma, KmsR4_mu, KmsR4_sigma, KmpR4_mu, KmpR4_sigma, TXASKcat_mu, TXASKcat_sigma, ParamNo, 4.35E-04);
| |
| − |
| |
| − | % REACTION 5
| |
| − | [KeqR5, KmsR5, KmpR5, PGISKcat] = Multikcat5f(KeqR5_mu, KeqR5_sigma, KmsR5_mu, KmsR5_sigma, KmpR5_mu, KmpR5_sigma, PGISKcat_mu, PGISKcat_sigma, ParamNo, 7.36E-04);
| |
| − |
| |
| − | % REACTION 6
| |
| − | [KdR6, KfR6, KrR6] = Multivariate3f(-10.8133, 2.1222, KfR6_mu, KfR6_sigma, KrR6_mu, KrR6_sigma, ParamNo );
| |
| − |
| |
| − | % REACTION 7
| |
| − | [KdR7, KfR7, KrR7] = Multivariate3f(-10.8133, 2.1222, KfR7_mu, KfR7_sigma, KrR7_mu, KrR7_sigma, ParamNo );
| |
| − |
| |
| − | % REACTION 8
| |
| − | [KdR8, KfR8, KrR8] = Multivariate3f(-7.6136, 0.3073, KfR8_mu, KfR8_sigma, KrR8_mu, KrR8_sigma, ParamNo );
| |
| − |
| |
| − | % REACTION 9
| |
| − | [KdR9, KfR9, KrR9] = Multivariate3f(-7.6136, 0.3073, KfR9_mu, KfR9_sigma, KrR9_mu, KrR9_sigma, ParamNo );
| |
| − |
| |
| − | % REACTION 10
| |
| − | [KeqR10, KmsR10, KmpR10, PGESKcat] = Multikcat5f( KeqR10_mu, KeqR10_sigma, KmsR10_mu, KmsR10_sigma, KmpR10_mu, KmpR10_sigma, PGESKcat_mu, PGESKcat_sigma, ParamNo, 4.17E-04);
| |
| − |
| |
| − | % REACTION 11
| |
| − | [KeqR11, KmsR11, KmpR11, LOX5Kcat] = Multikcat5f(KeqR11_mu, KeqR11_sigma, KmsR11_mu, KmsR11_sigma, KmpR11_mu, KmpR11_sigma, LOX5Kcat_mu, LOX5Kcat_sigma, ParamNo, 2.76E-04);
| |
| − |
| |
| − | % REACTION 12,18 AND 20
| |
| − | [KeqR12, KmsR12, KmpR12, PHGPxKcatR12] = Multikcat5f(KeqR12_mu, KeqR12_sigma, KmsR12_mu, KmsR12_sigma, KmpR12_mu, KmpR12_sigma, PHGPxKcatR12_mu, PHGPxKcatR12_sigma, ParamNo, 1.70E-03);
| |
| − |
| |
| − | [KeqR18, KmsR18, KmpR18, PHGPxKcatR18] = Multikcat5f(KeqR18_mu, KeqR18_sigma, KmsR18_mu, KmsR18_sigma, KmpR18_mu, KmpR18_sigma, PHGPxKcatR18_mu, PHGPxKcatR18_sigma, ParamNo, 1.70E-03);
| |
| − |
| |
| − | [KeqR20, KmsR20, KmpR20, PHGPxKcatR20] = Multikcat5f(KeqR20_mu, KeqR20_sigma, KmsR20_mu, KmsR20_sigma, KmpR20_mu, KmpR20_sigma, PHGPxKcatR20_mu, PHGPxKcatR20_sigma, ParamNo, 1.70E-03);
| |
| − |
| |
| − | % REACTION 13
| |
| − | [KeqR13, KmsR13, KmpR13, LOX5FLAPKcat] = Multikcat5f(KeqR13_mu, KeqR13_sigma, KmsR13_mu, KmsR13_sigma, KmpR13_mu, KmpR13_sigma, LOX5FLAPKcat_mu, LOX5FLAPKcat_sigma, ParamNo, 2.76E-04);
| |
| − |
| |
| − | % REACTION 14
| |
| − | [KeqR14, KmsR14, KmpR14, HEDH5Kcat] = Multikcat5f(KeqR14_mu, KeqR14_sigma, KmsR14_mu, KmsR14_sigma, KmpR14_mu, KmpR14_sigma, HEDH5Kcat_mu, HEDH5Kcat_sigma, ParamNo, 2.71E-03);
| |
| − |
| |
| − | % REACTION 15
| |
| − | [KeqR15, KmsR15, KmpR15, LTA4HKcat] = Multikcat5f(KeqR15_mu, KeqR15_sigma, KmsR15_mu, KmsR15_sigma, KmpR15_mu, KmpR15_sigma, LTA4HKcat_mu, LTA4HKcat_sigma, ParamNo, 2.71E-03);
| |
| − |
| |
| − | % R16 (LTC4S)
| |
| − | [KeqR16, KmsR16, KmpR16, LTC4SKcat] = Multikcat5f(KeqR16_mu, KeqR16_sigma, KmsR16_mu, KmsR16_sigma, KmpR16_mu, KmpR16_sigma, LTC4SKcat_mu, LTC4SKcat_sigma, ParamNo, 1.65E-04);
| |
| − |
| |
| − | % R17 (LOX15)
| |
| − | [KeqR17, KmsR17, KmpR17, LOX15Kcat] = Multikcat5f(KeqR17_mu, KeqR17_sigma, KmsR17_mu, KmsR17_sigma , KmpR17_mu, KmpR17_sigma, LOX15Kcat_mu, LOX15Kcat_sigma, ParamNo, 2.26E-05);
| |
| − |
| |
| − | % R19 (LOX12)
| |
| − | [KeqR19, KmsR19, KmpR19, LOX12Kcat] = Multikcat5f(KeqR19_mu, KeqR19_sigma, KmsR19_mu, KmsR19_sigma, KmpR19_mu, KmpR19_sigma, LOX12Kcat_mu, LOX12Kcat_sigma, ParamNo, 5.20E-06);
| |
| − |
| |
| − | % R21 (PGDS)
| |
| − | [KeqR21, KmsR21, KmpR21, PGDSKcat] = Multikcat5f(KeqR21_mu, KeqR21_sigma, KmsR21_mu, KmsR21_sigma, KmpR21_mu, KmpR21_sigma, PGDSKcat_mu, PGDSKcat_sigma, ParamNo, 3.76E-04);
| |
| − |
| |
| − | % R65
| |
| − | [KeqR65, KmsR65, KmpR65, COX1Kcat] = Multikcat5f(KeqR65_mu, KeqR65_sigma, KmsR65_mu, KmsR65_sigma, KmpR65_mu, KmpR65_sigma, COX1Kcat_mu, COX1Kcat_sigma, ParamNo, 7.19E-04);
| |
| − |
| |
| − | % R66 (PGDH15)
| |
| − | [KeqR66, KmsR66, KmpR66, PGDH15Kcat] = Multikcat5f(KeqR66_mu, KeqR66_sigma, KmsR66_mu, KmsR66_sigma, KmpR66_mu, KmpR66_sigma, PGDH15Kcat_mu, PGDH15Kcat_sigma, ParamNo, 5.22E-05);
| |
| − |
| |
| − | % R69 (PTGR2)
| |
| − | [KeqR69, KmsR69, KmpR69, PTGR2Kcat] = Multikcat5f(KeqR69_mu, KeqR69_sigma, KmsR69_mu, KmsR69_sigma, KmpR69_mu, KmpR69_sigma, PTGR2Kcat_mu, PTGR2Kcat_sigma, ParamNo, 6.72E-04);
| |
| − |
| |
| − | % REACTION 100
| |
| − | [KeqR100, KmsR100, KmpR100, LATKcat] = Multikcat5f(KeqR100_mu, KeqR100_sigma, KmsR100_mu, KmsR100_sigma, KmpR100_mu, KmpR100_sigma, LATKcat_mu, LATKcat_sigma, ParamNo, 8.81E-05);
| |
| − |
| |
| − | % INTRACELLULAR EICOSANOID EXPORT(ABC)
| |
| − | % R22-42, 67, 70
| |
| − |
| |
| − | % ABCKmR22 PGF2A
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd81=makedist('Lognormal', ABCKmR22_mu, ABCKmR22_sigma);
| |
| − | ABCKmR22=random(pd81,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR23 TXB2
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd106=makedist('Lognormal', ABCKmR23_mu, ABCKmR23_sigma);
| |
| − | ABCKmR23=random(pd106,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR24 K6PGF1A
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd107=makedist('Lognormal', ABCKmR24_mu, ABCKmR24_sigma);
| |
| − | ABCKmR24=random(pd107,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR25 PGE2
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd108=makedist('Lognormal', ABCKmR25_mu, ABCKmR25_sigma);
| |
| − | ABCKmR25 =random(pd108,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR26 D15PGJ2
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd109=makedist('Lognormal', ABCKmR26_mu, ABCKmR26_sigma);
| |
| − | ABCKmR26=random(pd109,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR27 OETE5
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd110=makedist('Lognormal', ABCKmR27_mu, ABCKmR27_sigma);
| |
| − | ABCKmR27=random(pd110,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR28 HETE15
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd111=makedist('Lognormal', ABCKmR28_mu, ABCKmR28_sigma);
| |
| − | ABCKmR28=random(pd111,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR29 LTB4
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd112=makedist('Lognormal', ABCKmR29_mu, ABCKmR29_sigma);
| |
| − | ABCKmR29=random(pd112,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR30 LTC4
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd113=makedist('Lognormal', ABCKmR30_mu, ABCKmR30_sigma);
| |
| − | ABCKmR30=random(pd113,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR31 HETE12
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd114=makedist('Lognormal', ABCKmR31_mu, ABCKmR31_sigma);
| |
| − | ABCKmR31=random(pd114,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR32 TXA2
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd115=makedist('Lognormal', ABCKmR32_mu, ABCKmR32_sigma);
| |
| − | ABCKmR32=random(pd115,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR33 PGI2
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd116=makedist('Lognormal', ABCKmR33_mu, ABCKmR33_sigma);
| |
| − | ABCKmR33=random(pd116,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR34 PGH2
| |
| − | % Mode: 25, CI: 10
| |
| − | pd117=makedist('Lognormal', ABCKmR34_mu, ABCKmR34_sigma);
| |
| − | ABCKmR34=random(pd117,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR35 PGD2
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd118=makedist('Lognormal', ABCKmR35_mu, ABCKmR35_sigma);
| |
| − | ABCKmR35=random(pd118,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR36 PGJ2
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd119=makedist('Lognormal', ABCKmR36_mu, ABCKmR36_sigma);
| |
| − | ABCKmR36=random(pd119,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR37 12HPETE
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd120=makedist('Lognormal', ABCKmR37_mu, ABCKmR37_sigma);
| |
| − | ABCKmR37=random(pd120,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR38 15HPETE
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd121=makedist('Lognormal', ABCKmR38_mu, ABCKmR38_sigma);
| |
| − | ABCKmR38=random(pd121,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR39 5HPETE
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd122=makedist('Lognormal', ABCKmR39_mu, ABCKmR39_sigma);
| |
| − | ABCKmR39=random(pd122,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR40 HETE5
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd123=makedist('Lognormal', ABCKmR40_mu, ABCKmR40_sigma);
| |
| − | ABCKmR40=random(pd123,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR41 LTA4
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd124=makedist('Lognormal', ABCKmR41_mu, ABCKmR41_sigma);
| |
| − | ABCKmR41=random(pd124,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR42 AA
| |
| − | % Mode: 25, CI: 10
| |
| − | pd125=makedist('Lognormal', ABCKmR42_mu, ABCKmR42_sigma);
| |
| − | ABCKmR42=random(pd125,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR67 KPGE215
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd126=makedist('Lognormal', ABCKmR67_mu, ABCKmR67_sigma);
| |
| − | ABCKmR67=random(pd126,ParamNo,1);
| |
| − |
| |
| − | % ABCKmR70 DHKPGE215
| |
| − | % Mode: 0.021 CIF:23.6964
| |
| − | pd127=makedist('Lognormal', ABCKmR70_mu, ABCKmR70_sigma);
| |
| − | ABCKmR70=random(pd127,ParamNo,1);
| |
| − |
| |
| − | % ABCKcat
| |
| − | % Mode: 1.33 CI:7.30
| |
| − | pd82=makedist('Lognormal', ABCKcat_mu, ABCKcat_sigma); %
| |
| − | ABCKcat=random(pd82,ParamNo,1);
| |
| − |
| |
| − |
| |
| − | % DECAY PARAMETERS
| |
| − |
| |
| − | % KfR44
| |
| − | % Mode: 0.001, CI: 10
| |
| − | pd83=makedist('Lognormal', KfR44_mu, KfR44_sigma);
| |
| − | KfR44=random(pd83,ParamNo,1);
| |
| − |
| |
| − | % KfR45
| |
| − | % Mode:0.035 , CI: 10
| |
| − | pd84=makedist('Lognormal', KfR45_mu, KfR45_sigma);
| |
| − | KfR45=random(pd84,ParamNo,1);
| |
| − |
| |
| − | % KfR46
| |
| − | % Mode: 2.079, CI: 10
| |
| − | pd85=makedist('Lognormal', KfR46_mu, KfR46_sigma);
| |
| − | KfR46=random(pd85,ParamNo,1);
| |
| − |
| |
| − | % KfR47
| |
| − | % Mode:0.231 , CI: 10
| |
| − | pd86=makedist('Lognormal', KfR47_mu, KfR47_sigma);
| |
| − | KfR47=random(pd86,ParamNo,1);
| |
| − |
| |
| − | % KfR48
| |
| − | % Mode:0.99 , CI: 10
| |
| − | pd87=makedist('Lognormal', KfR48_mu, KfR48_sigma);
| |
| − | KfR48=random(pd87,ParamNo,1);
| |
| − |
| |
| − | % KfR49
| |
| − | % Mode: 0.001, CI: 10
| |
| − | pd88=makedist('Lognormal', KfR49_mu, KfR49_sigma);
| |
| − | KfR49=random(pd88,ParamNo,1);
| |
| − |
| |
| − | % KfR50
| |
| − | % Mode: 0.001, CI: 10
| |
| − | pd89=makedist('Lognormal', KfR50_mu, KfR50_sigma);
| |
| − | KfR50=random(pd89,ParamNo,1);
| |
| − |
| |
| − | % KfR51
| |
| − | % Mode: 0.001, CI: 10
| |
| − | pd90=makedist('Lognormal', KfR51_mu, KfR51_sigma);
| |
| − | KfR51=random(pd90,ParamNo,1);
| |
| − |
| |
| − | % KfR52
| |
| − | % Mode: 0.462, CI: 10
| |
| − | pd91=makedist('Lognormal', KfR52_mu, KfR52_sigma);
| |
| − | KfR52=random(pd91,ParamNo,1);
| |
| − |
| |
| − | % KfR53
| |
| − | % Mode:0.139, CI: 10
| |
| − | pd92=makedist('Lognormal', KfR53_mu, KfR53_sigma);
| |
| − | KfR53=random(pd92,ParamNo,1);
| |
| − |
| |
| − | % KfR54
| |
| − | % Mode: 0.064, CI: 10
| |
| − | pd93=makedist('Lognormal', KfR54_mu, KfR54_sigma);
| |
| − | KfR54=random(pd93,ParamNo,1);
| |
| − |
| |
| − | % KfR55
| |
| − | % Mode: 0.033, CI: 10
| |
| − | pd94=makedist('Lognormal', KfR55_mu, KfR55_sigma);
| |
| − | KfR55=random(pd94,ParamNo,1);
| |
| − |
| |
| − | % KfR56
| |
| − | % Mode: 1.475, CI: 10
| |
| − | pd95=makedist('Lognormal', KfR56_mu, KfR56_sigma);
| |
| − | KfR56=random(pd95,ParamNo,1);
| |
| − |
| |
| − | % KfR57
| |
| − | % Mode:1.475 , CI: 10
| |
| − | pd96=makedist('Lognormal', KfR57_mu, KfR57_sigma);
| |
| − | KfR57=random(pd96,ParamNo,1);
| |
| − |
| |
| − | % KfR58
| |
| − | % Mode: 13.863, CI: 10
| |
| − | pd97=makedist('Lognormal', KfR58_mu, KfR58_sigma);
| |
| − | KfR58=random(pd97,ParamNo,1);
| |
| − |
| |
| − | % KfR59
| |
| − | % Mode:1.386 , CI: 10
| |
| − | pd98=makedist('Lognormal', KfR59_mu, KfR59_sigma);
| |
| − | KfR59=random(pd98,ParamNo,1);
| |
| − |
| |
| − | % KfR60
| |
| − | % Mode: 0.033, CI: 10
| |
| − | pd99=makedist('Lognormal', KfR60_mu, KfR60_sigma);
| |
| − | KfR60=random(pd99,ParamNo,1);
| |
| − |
| |
| − | % KfR61
| |
| − | % Mode: 1.386, CI: 10
| |
| − | pd100=makedist('Lognormal', KfR61_mu, KfR61_sigma);
| |
| − | KfR61=random(pd100,ParamNo,1);
| |
| − |
| |
| − | % KfR62
| |
| − | % Mode: 0.004, CI: 10
| |
| − | pd101=makedist('Lognormal', KfR62_mu, KfR62_sigma);
| |
| − | KfR62=random(pd101,ParamNo,1);
| |
| − |
| |
| − | % KfR63
| |
| − | % Mode: 1.386, CI: 10
| |
| − | pd102=makedist('Lognormal', KfR63_mu, KfR63_sigma);
| |
| − | KfR63=random(pd102,ParamNo,1);
| |
| − |
| |
| − | % KfR64
| |
| − | % Mode:0.003 , CI: 10
| |
| − | pd103=makedist('Lognormal', KfR64_mu, KfR64_sigma);
| |
| − | KfR64=random(pd103,ParamNo,1);
| |
| − |
| |
| − | % KfR68
| |
| − | % Mode: 0.007, CI: 10
| |
| − | pd104=makedist('Lognormal', KfR68_mu, KfR68_sigma);
| |
| − | KfR68=random(pd104,ParamNo,1);
| |
| − |
| |
| − | % KfR71
| |
| − | % Mode: 0.007, CI: 10
| |
| − | pd105=makedist('Lognormal', KfR71_mu, KfR71_sigma);
| |
| − | KfR71=random(pd105,ParamNo,1);
| |
| − |
| |
| − | % PGT Transporter Paramters
| |
| − |
| |
| − | %PGTKcat
| |
| − | % Mode: 1.33 CIF:7.30
| |
| − | pd106=makedist('Lognormal', PGTKcat_mu, PGTKcat_sigma);
| |
| − | PGTKcat=random(pd106,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR101 PGF2a
| |
| − | %Mode: 4.79E-04 CIF:96.9951
| |
| − | pd107=makedist('Lognormal', PGTKmR101_mu, PGTKmR101_sigma);
| |
| − | PGTKmR101=random(pd107,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR102 PGE2
| |
| − | %Mode: 4.15E-04 CIF:90.3325
| |
| − | pd108=makedist('Lognormal', PGTKmR102_mu, PGTKmR102_sigma);
| |
| − | PGTKmR102=random(pd108,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR103 PGI2
| |
| − | %Mode: 1.10E-03 CIF: 94.21
| |
| − | pd109=makedist('Lognormal', PGTKmR103_mu, PGTKmR103_sigma);
| |
| − | PGTKmR103=random(pd109,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR104 PGD2
| |
| − | %Mode: 1.10E-03 CIF: 94.21
| |
| − | pd110=makedist('Lognormal', PGTKmR104_mu, PGTKmR104_sigma);
| |
| − | PGTKmR104=random(pd110,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR105 PGJ2
| |
| − | %Mode: 1.10E-03 CIF: 94.21
| |
| − | pd111=makedist('Lognormal', PGTKmR105_mu, PGTKmR105_sigma);
| |
| − | PGTKmR105=random(pd111,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR106 TXB2
| |
| − | %Mode:4.95E-04 CIF:79.5062
| |
| − | pd112=makedist('Lognormal', PGTKmR106_mu, PGTKmR106_sigma);
| |
| − | PGTKmR106=random(pd112,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR107 DHKPGE215
| |
| − | %Mode:0.0045 CIF:107.2898
| |
| − | pd113=makedist('Lognormal', PGTKmR107_mu, PGTKmR107_sigma);
| |
| − | PGTKmR107=random(pd113,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR108 KPGE215
| |
| − | %Mode:0.0045 CIF:107.2898
| |
| − | pd114=makedist('Lognormal', PGTKmR108_mu, PGTKmR108_sigma);
| |
| − | PGTKmR108=random(pd114,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR109 K6PGF1a
| |
| − | %Mode:0.0013 CIF:95.5996
| |
| − | pd115=makedist('Lognormal', PGTKmR109_mu, PGTKmR109_sigma);
| |
| − | PGTKmR109=random(pd115,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR110 TXA2
| |
| − | %Mode: 1.10E-03 CIF: 94.21
| |
| − | pd116=makedist('Lognormal', PGTKmR110_mu, PGTKmR110_sigma);
| |
| − | PGTKmR110=random(pd116,ParamNo,1);
| |
| − |
| |
| − | %PGTKmR111 D15PGJ2
| |
| − | %Mode: 1.10E-03 CIF: 94.21
| |
| − | pd117=makedist('Lognormal', PGTKmR111_mu, PGTKmR111_sigma);
| |
| − | PGTKmR111=random(pd117,ParamNo,1);
| |
| − |
| |
| − | % Enzyme concentrations
| |
| − |
| |
| − | %15-PGDH
| |
| − | %Mode: 6.20E-05 CIF: 2.30E+00
| |
| − | pd118=makedist('Lognormal', PGDH15_mu, PGDH15_sigma);
| |
| − | PGDH15=random(pd118,ParamNo,1);
| |
| − |
| |
| − | %ABC
| |
| − | %Mode: 1.45E+00 CIF:1.42E+00
| |
| − | pd119=makedist('Lognormal', ABC_mu, ABC_sigma);
| |
| − | ABC=random(pd119,ParamNo,1);
| |
| − |
| |
| − | %COX1
| |
| − | %Mode: 7.19E-04 CIF: 3.48E+00
| |
| − | pd120=makedist('Lognormal', COX1_mu, COX1_sigma); %Normal concentration
| |
| − | % pd120=makedist('Lognormal',-8.7442,8.92E-01); %NSAID treated cell with 10% of COX
| |
| − | COX1=random(pd120,ParamNo,1);
| |
| − |
| |
| − | %HEDH5
| |
| − | %Mode: 2.71E-03 CIF:2.00E+00
| |
| − | pd122=makedist('Lognormal', HEDH5_mu, HEDH5_sigma);
| |
| − | HEDH5=random(pd122,ParamNo,1);
| |
| − |
| |
| − | %LOX12
| |
| − | %Mode: 3.70E-06 CIF:7.22E+00
| |
| − | pd123=makedist('Lognormal', LOX12_mu, LOX12_sigma);
| |
| − | LOX12=random(pd123,ParamNo,1);
| |
| − |
| |
| − | %LOX15
| |
| − | %Mode: 2.26E-05 CIF:3.93E+00
| |
| − | pd124=makedist('Lognormal', LOX15_mu, LOX15_sigma);
| |
| − | LOX15=random(pd124,ParamNo,1);
| |
| − |
| |
| − | %LOX5
| |
| − | %Mode: 2.76E-04 CIF:1.58E+00
| |
| − | pd125=makedist('Lognormal', LOX5_mu, LOX5_sigma);
| |
| − | LOX5=random(pd125,ParamNo,1);
| |
| − |
| |
| − | %LTA4H
| |
| − | %Mode: 2.71E-03 CIF:1.22E+00
| |
| − | pd126=makedist('Lognormal', LTA4H_mu, LTA4H_sigma);
| |
| − | LTA4H=random(pd126,ParamNo,1);
| |
| − |
| |
| − | %LTC4S
| |
| − | %Mode:1.65E-04 CIF:1.43E+00
| |
| − | pd127=makedist('Lognormal', LTC4S_mu, LTC4S_sigma);
| |
| − | LTC4S=random(pd127,ParamNo,1);
| |
| − |
| |
| − | %PGDS
| |
| − | %Mode:3.76E-04 CIF:1.62E+00
| |
| − | pd128=makedist('Lognormal', PGDS_mu, PGDS_sigma);
| |
| − | PGDS=random(pd128,ParamNo,1);
| |
| − |
| |
| − | %PGES
| |
| − | %Mode:6.16E-04 CIF:4.12E+00
| |
| − | pd129=makedist('Lognormal', PGES_mu, PGES_sigma);
| |
| − | PGES=random(pd129,ParamNo,1);
| |
| − |
| |
| − | %PGFS
| |
| − | %Mode:3.60E-04 CIF:2.04E+00
| |
| − | pd130=makedist('Lognormal', PGFS_mu, PGFS_sigma);
| |
| − | PGFS=random(pd130,ParamNo,1);
| |
| − |
| |
| − | %PGIS
| |
| − | %Mode:7.19E-04 CIF:3.48E+00
| |
| − | pd131=makedist('Lognormal', PGIS_mu, PGIS_sigma);
| |
| − | PGIS=random(pd131,ParamNo,1);
| |
| − |
| |
| − | %PGT
| |
| − | %Mode:9.63E-05 CIF:4.70E+00
| |
| − | pd132=makedist('Lognormal', PGT_mu, PGT_sigma);
| |
| − | PGT=random(pd132,ParamNo,1);
| |
| − |
| |
| − | %PHGPX
| |
| − | %Mode:1.70E-03 CIF:1.36E+00
| |
| − | pd133=makedist('Lognormal', PHGPX_mu, PHGPX_sigma);
| |
| − | PHGPX=random(pd133,ParamNo,1);
| |
| − |
| |
| − | %PLA2
| |
| − | %Mode:8.83E-05 CIF:9.33E+00
| |
| − | pd134=makedist('Lognormal', PLA2_mu, PLA2_sigma);
| |
| − | PLA2=random(pd134,ParamNo,1);
| |
| − |
| |
| − | %PTGR2
| |
| − | %Mode:4.10E-04 CIF:5.53E+00
| |
| − | pd135=makedist('Lognormal', PTGR2_mu, PTGR2_sigma);
| |
| − | PTGR2=random(pd135,ParamNo,1);
| |
| − |
| |
| − | %TXAS
| |
| − | %Mode:4.17E-04 CIF:6.67E+00
| |
| − | pd136=makedist('Lognormal', TXAS_mu, TXAS_sigma);
| |
| − | TXAS=random(pd136,ParamNo,1);
| |
| − |
| |
| − |
| |
| − | %% Section 5: Sampling of log-normal distribution and simulation details
| |
| − |
| |
| − | ParamSets=[KmsR1 KmpR1 PLA2Kcat KeqR1 KmsR2 KmpR2 COX2Kcat KeqR2 KmsR3 KmpR3 PGFSKcat KeqR3 KmsR4 KmpR4 TXASKcat KeqR4 KmsR5 KmpR5 PGISKcat KeqR5 KfR6 KrR6 KfR7 KrR7 KfR8 KrR8 KfR9 KrR9 KmsR10 KmpR10 PGESKcat KeqR10 KmsR11 KmpR11 LOX5Kcat KeqR11 KmsR12 KmpR12 PHGPxKcatR12 KeqR12 KmsR13 KmpR13 LOX5FLAPKcat KeqR13 KmsR14 KmpR14 HEDH5Kcat KeqR14 KmsR15 KmpR15 LTA4HKcat KeqR15 KmsR16 KmpR16 LTC4SKcat KeqR16 KmsR17 KmpR17 LOX15Kcat KeqR17 KmsR19 KmpR19 LOX12Kcat KeqR19 KmsR21 KmpR21 PGDSKcat KeqR21 KmsR65 KmpR65 COX1Kcat KeqR65 KmsR66 KmpR66 PGDH15Kcat KeqR66 KmsR69 KmpR69 PTGR2Kcat KeqR69 ABCKcat KfR44 KfR45 KfR46 KfR47 KfR48 KfR49 KfR50 KfR51 KfR52 KfR53 KfR54 KfR55 KfR56 KfR57 KfR58 KfR59 KfR60 KfR61 KfR62 KfR63 KfR64 KfR68 KfR71 KmsR100 KmpR100 LATKcat KeqR100 ABCKmR22 ABCKmR23 ABCKmR24 ABCKmR25 ABCKmR26 ABCKmR27 ABCKmR28 ABCKmR29 ABCKmR30 ABCKmR31 ABCKmR32 ABCKmR33 ABCKmR34 ABCKmR35 ABCKmR36 ABCKmR37 ABCKmR38 ABCKmR39 ABCKmR40 ABCKmR41 ABCKmR42 ABCKmR67 ABCKmR70 PGTKcat PGTKmR101 PGTKmR102 PGTKmR103 PGTKmR104 PGTKmR105 PGTKmR106 PGTKmR107 PGTKmR108 PGTKmR109 PGTKmR110 PGTKmR111 KmsR18 KmpR18 PHGPxKcatR18 KeqR18 KmsR20 KmpR20 PHGPxKcatR20 KeqR20 PGDH15 ABC COX1 HEDH5 LOX12 LOX15 LOX5 LTA4H LTC4S PGDS PGES PGFS PGIS PGT PHGPX PLA2 PTGR2 TXAS];
| |
| − |
| |
| − | options = odeset('RelTol',1e-15,'AbsTol',1e-14,'NormControl','on');
| |
| − | iter = ParamNo;
| |
| − |
| |
| − | countFailed = 0;
| |
| − | countNormal = 0;
| |
| − | countAbnormal = 0;
| |
| − | j=0;
| |
| − | z=0;
| |
| − | m=0;
| |
| − |
| |
| − | for i=1:iter
| |
| − | CF1=0;CF2=0;CF3=0;
| |
| − | CN1=0;CN2=0;CN3=0;
| |
| − | CA1=0;CA2=0;CA3=0;
| |
| − | KmsR1 = ParamSets(i,1);
| |
| − | KmpR1 = ParamSets(i,2);
| |
| − | PLA2Kcat = ParamSets(i,3);
| |
| − | KeqR1 = ParamSets(i,4);
| |
| − | KmsR2 = ParamSets(i,5);
| |
| − | KmpR2 = ParamSets(i,6);
| |
| − | COX2Kcat = ParamSets(i,7);
| |
| − | KeqR2 = ParamSets(i,8);
| |
| − | KmsR3 = ParamSets(i,9);
| |
| − | KmpR3 = ParamSets(i,10);
| |
| − | PGFSKcat = ParamSets(i,11);
| |
| − | KeqR3 = ParamSets(i,12);
| |
| − | KmsR4 = ParamSets(i,13);
| |
| − | KmpR4 = ParamSets(i,14);
| |
| − | TXASKcat = ParamSets(i,15);
| |
| − | KeqR4 = ParamSets(i,16);
| |
| − | KmsR5 = ParamSets(i,17);
| |
| − | KmpR5 = ParamSets(i,18);
| |
| − | PGISKcat = ParamSets(i,19);
| |
| − | KeqR5 = ParamSets(i,20);
| |
| − | KfR6 = ParamSets(i,21);
| |
| − | KrR6 = ParamSets(i,22);
| |
| − | KfR7 = ParamSets(i,23);
| |
| − | KrR7 = ParamSets(i,24);
| |
| − | KfR8 = ParamSets(i,25);
| |
| − | KrR8 = ParamSets(i,26);
| |
| − | KfR9 = ParamSets(i,27);
| |
| − | KrR9 = ParamSets(i,28);
| |
| − | KmsR10 = ParamSets(i,29);
| |
| − | KmpR10 = ParamSets(i,30);
| |
| − | PGESKcat = ParamSets(i,31);
| |
| − | KeqR10 = ParamSets(i,32);
| |
| − | KmsR11 = ParamSets(i,33);
| |
| − | KmpR11 = ParamSets(i,34);
| |
| − | LOX5Kcat = ParamSets(i,35);
| |
| − | KeqR11 = ParamSets(i,36);
| |
| − | KmsR12 = ParamSets(i,37);
| |
| − | KmpR12 = ParamSets(i,38);
| |
| − | PHGPxKcatR12 = ParamSets(i,39);
| |
| − | KeqR12 = ParamSets(i,40);
| |
| − | KmsR13 = ParamSets(i,41);
| |
| − | KmpR13 = ParamSets(i,42);
| |
| − | LOX5FLAPKcat = ParamSets(i,43);
| |
| − | KeqR13 = ParamSets(i,44);
| |
| − | KmsR14 = ParamSets(i,45);
| |
| − | KmpR14 = ParamSets(i,46);
| |
| − | HEDH5Kcat = ParamSets(i,47);
| |
| − | KeqR14 = ParamSets(i,48);
| |
| − | KmsR15 = ParamSets(i,49);
| |
| − | KmpR15 = ParamSets(i,50);
| |
| − | LTA4HKcat = ParamSets(i,51);
| |
| − | KeqR15 = ParamSets(i,52);
| |
| − | KmsR16 = ParamSets(i,53);
| |
| − | KmpR16 = ParamSets(i,54);
| |
| − | LTC4SKcat = ParamSets(i,55);
| |
| − | KeqR16 = ParamSets(i,56);
| |
| − | KmsR17 = ParamSets(i,57);
| |
| − | KmpR17 = ParamSets(i,58);
| |
| − | LOX15Kcat = ParamSets(i,59);
| |
| − | KeqR17 = ParamSets(i,60);
| |
| − | KmsR19 = ParamSets(i,61);
| |
| − | KmpR19 = ParamSets(i,62);
| |
| − | LOX12Kcat = ParamSets(i,63);
| |
| − | KeqR19 = ParamSets(i,64);
| |
| − | KmsR21 = ParamSets(i,65);
| |
| − | KmpR21 = ParamSets(i,66);
| |
| − | PGDSKcat = ParamSets(i,67);
| |
| − | KeqR21 = ParamSets(i,68);
| |
| − | KmsR65 = ParamSets(i,69);
| |
| − | KmpR65 = ParamSets(i,70);
| |
| − | COX1Kcat = ParamSets(i,71);
| |
| − | KeqR65 = ParamSets(i,72);
| |
| − | KmsR66 = ParamSets(i,73);
| |
| − | KmpR66 = ParamSets(i,74);
| |
| − | PGDH15Kcat = ParamSets(i,75);
| |
| − | KeqR66 = ParamSets(i,76);
| |
| − | KmsR69 = ParamSets(i,77);
| |
| − | KmpR69 = ParamSets(i,78);
| |
| − | PTGR2Kcat = ParamSets(i,79);
| |
| − | KeqR69 = ParamSets(i,80);
| |
| − | ABCKcat = ParamSets(i,81);
| |
| − | KfR44 = ParamSets(i,82);
| |
| − | KfR45 = ParamSets(i,83);
| |
| − | KfR46 = ParamSets(i,84);
| |
| − | KfR47 = ParamSets(i,85);
| |
| − | KfR48 = ParamSets(i,86);
| |
| − | KfR49 = ParamSets(i,87);
| |
| − | KfR50 = ParamSets(i,88);
| |
| − | KfR51 = ParamSets(i,89);
| |
| − | KfR52 = ParamSets(i,90);
| |
| − | KfR53 = ParamSets(i,91);
| |
| − | KfR54 = ParamSets(i,92);
| |
| − | KfR55 = ParamSets(i,93);
| |
| − | KfR56 = ParamSets(i,94);
| |
| − | KfR57 = ParamSets(i,95);
| |
| − | KfR58 = ParamSets(i,96);
| |
| − | KfR59 = ParamSets(i,97);
| |
| − | KfR60 = ParamSets(i,98);
| |
| − | KfR61 = ParamSets(i,99);
| |
| − | KfR62 = ParamSets(i,100);
| |
| − | KfR63 = ParamSets(i,101);
| |
| − | KfR64 = ParamSets(i,102);
| |
| − | KfR68 = ParamSets(i,103);
| |
| − | KfR71 = ParamSets(i,104);
| |
| − | KmsR100 = ParamSets(i,105);
| |
| − | KmpR100 = ParamSets(i,106);
| |
| − | LATKcat = ParamSets(i,107);
| |
| − | KeqR100 = ParamSets(i,108);
| |
| − | ABCKmR22 = ParamSets(i,109);
| |
| − | ABCKmR23 = ParamSets(i,110);
| |
| − | ABCKmR24 = ParamSets(i,111);
| |
| − | ABCKmR25 = ParamSets(i,112);
| |
| − | ABCKmR26 = ParamSets(i,113);
| |
| − | ABCKmR27 = ParamSets(i,114);
| |
| − | ABCKmR28 = ParamSets(i,115);
| |
| − | ABCKmR29 = ParamSets(i,116);
| |
| − | ABCKmR30 = ParamSets(i,117);
| |
| − | ABCKmR31 = ParamSets(i,118);
| |
| − | ABCKmR32 = ParamSets(i,119);
| |
| − | ABCKmR33 = ParamSets(i,120);
| |
| − | ABCKmR34 = ParamSets(i,121);
| |
| − | ABCKmR35 = ParamSets(i,122);
| |
| − | ABCKmR36 = ParamSets(i,123);
| |
| − | ABCKmR37 = ParamSets(i,124);
| |
| − | ABCKmR38 = ParamSets(i,125);
| |
| − | ABCKmR39 = ParamSets(i,126);
| |
| − | ABCKmR40 = ParamSets(i,127);
| |
| − | ABCKmR41 = ParamSets(i,128);
| |
| − | ABCKmR42 = ParamSets(i,129);
| |
| − | ABCKmR67 = ParamSets(i,130);
| |
| − | ABCKmR70 = ParamSets(i,131);
| |
| − | PGTKcat = ParamSets(i,132);
| |
| − | PGTKmR101 = ParamSets(i,133);
| |
| − | PGTKmR102 = ParamSets(i,134);
| |
| − | PGTKmR103 = ParamSets(i,135);
| |
| − | PGTKmR104 = ParamSets(i,136);
| |
| − | PGTKmR105 = ParamSets(i,137);
| |
| − | PGTKmR106 = ParamSets(i,138);
| |
| − | PGTKmR107 = ParamSets(i,139);
| |
| − | PGTKmR108 = ParamSets(i,140);
| |
| − | PGTKmR109 = ParamSets(i,141);
| |
| − | PGTKmR110 = ParamSets(i,142);
| |
| − | PGTKmR111 = ParamSets(i,143);
| |
| − | KmsR18 = ParamSets(i,144);
| |
| − | KmpR18 = ParamSets(i,145);
| |
| − | PHGPxKcatR18 = ParamSets(i,146);
| |
| − | KeqR18 = ParamSets(i,147);
| |
| − | KmsR20 = ParamSets(i,148);
| |
| − | KmpR20 = ParamSets(i,149);
| |
| − | PHGPxKcatR20 = ParamSets(i,150);
| |
| − | KeqR20 = ParamSets(i,151);
| |
| − | PGDH15 = ParamSets(i,152);
| |
| − | ABC = ParamSets(i,153);
| |
| − | COX1 = ParamSets(i,154);
| |
| − | HEDH5 = ParamSets(i,155);
| |
| − | LOX12 = ParamSets(i,156);
| |
| − | LOX15 = ParamSets(i,157);
| |
| − | LOX5 = ParamSets(i,158);
| |
| − | LTA4H = ParamSets(i,159);
| |
| − | LTC4S = ParamSets(i,160);
| |
| − | PGDS = ParamSets(i,161);
| |
| − | PGES = ParamSets(i,162);
| |
| − | PGFS = ParamSets(i,163);
| |
| − | PGIS = ParamSets(i,164);
| |
| − | PGT = ParamSets(i,165);
| |
| − | PHGPX = ParamSets(i,166);
| |
| − | PLA2 = ParamSets(i,167);
| |
| − | PTGR2 = ParamSets(i,168);
| |
| − | TXAS = ParamSets(i,169);
| |
| − |
| |
| − | %% Section 6: Initial metabolite concentrations, event triggers and classification of simulations as normal/abnormal/failed
| |
| − |
| |
| − | time=60; %Activation time
| |
| − | tspan=0:0.5:time; %Length of simulation and step size
| |
| − | y0=ones(49,1)*1E-28; %Initial metabolite concentration
| |
| − |
| |
| − | c=0; % Maximum concentration of AA(mM)
| |
| − | c2=0; %Decay switch for AA
| |
| − | c3= 0; % Maximum concentration of COX-2 (mM): 2.27E-2 mM
| |
| − | c4=0; % Decay switch for COX-2
| |
| − |
| |
| − | [t,y] = ode15s(@Model,tspan,y0);
| |
| − |
| |
| − | if (max(t)<time)
| |
| − | display(i);
| |
| − | countFailed = countFailed + 1;
| |
| − | CF1 = CF1 +1;
| |
| − |
| |
| − | else if (min(y(:,26))<= 0) %Classifies the simulation as abnormal if the concentration of PGE2 goes equal or below zero.
| |
| − | countAbnormal = countAbnormal + 1;
| |
| − | CA1 = CA1 +1;
| |
| − | else
| |
| − | countNormal = countNormal + 1;
| |
| − | CN1 = CN1 +1;
| |
| − | end
| |
| − | end
| |
| − | test{1,1} = [i];
| |
| − | test{1,2} = t;
| |
| − | test{1,3} = y;
| |
| − |
| |
| − |
| |
| − | Endvalues=y(length(t),:);
| |
| − | y2=Endvalues;
| |
| − | y2=y2';
| |
| − | time2=240; %Second activation time
| |
| − | tspan2=time:0.5:time2;
| |
| − |
| |
| − | c=5.77E-04; % Maximum concentration of AA(mM)
| |
| − | % In silico experiment values for c: H + A23187: 5.77E-04, H + ATP: 2.40E-04, H + UVR: 5.11E-04, H + Indomethacin + A23187: 4.65E-04, F + UVR:1.22E-04, F + A23187:1.54E-04, F+ATP:9.36E-06, F + Indo:6.00E-05
| |
| − |
| |
| − | c2=0; %Decay switch for AA
| |
| − | c3= 0; % Maximum concentration of COX-2 (mM): 2.27E-2 mM
| |
| − | c4=0; % Decay switch for COX-2
| |
| − |
| |
| − | [t,y] = ode15s(@Model,tspan2,y2,options);
| |
| − |
| |
| − | if (max(t)<time2)
| |
| − | display(i);
| |
| − | countFailed = countFailed + 1;
| |
| − | CF2 = CF2 +1;
| |
| − | else if (min(y(:,26))<= 0)
| |
| − | countAbnormal = countAbnormal + 1;
| |
| − | CA2 = CA2 +1;
| |
| − | else
| |
| − | countNormal = countNormal + 1;
| |
| − | CN2 = CN2 +1;
| |
| − | end
| |
| − | end
| |
| − | test{2,1} = [i];
| |
| − | test{2,2} = t;
| |
| − | test{2,3} = y;
| |
| − |
| |
| − | Endvalues2=y(length(t),:);
| |
| − | y3=[Endvalues2];
| |
| − | y3=y3';
| |
| − | time3=420; % Final time point of the simulation
| |
| − | tspan3=time2:0.5:time3;
| |
| − |
| |
| − | c=5.77E-04; % Maximum concentration of AA(mM)
| |
| − | % In silico experiment values for c: H + A23187: 5.77E-04, H + ATP: 2.40E-04, H + UVR: 5.11E-04, H + Indomethacin + A23187: 4.65E-04, F + UVR:1.22E-04, F + A23187:1.54E-04, F+ATP:9.36E-06, F + Indo:6.00E-05
| |
| − |
| |
| − | c2=0; %Decay switch for AA
| |
| − | c3= 0; % Maximum concentration of COX-2 (mM): 2.27E-2 mM
| |
| − | c4=0; % Decay switch for COX-2
| |
| − |
| |
| − | [t,y] = ode15s(@Model,tspan3,y3,options);
| |
| − |
| |
| − | if (max(t)<time3)
| |
| − | display(i);
| |
| − | countFailed = countFailed + 1;
| |
| − | CF3 = CF3 +1;
| |
| − | else if (min(y(:,26))<= 0)
| |
| − | countAbnormal = countAbnormal + 1;
| |
| − | else
| |
| − | countNormal = countNormal + 1;
| |
| − | CN3 = CN3 +1;
| |
| − | end
| |
| − | end
| |
| − | test{3,1} = [i];
| |
| − | test{3,2} = t;
| |
| − | test{3,3} = y;
| |
| − |
| |
| − | if CN1 == 1 && CN2 == 1 && CN3 ==1 %1
| |
| − | normal{i,1}=test{1,1};
| |
| − | normal{i,2}=[test{1,2}; test{2,2}; test{3,2}];
| |
| − | normal{i,3}=[test{1,3}; test{2,3}; test{3,3}];
| |
| − |
| |
| − | elseif CN1 == 1 && CN2 == 1 && CA3 ==1 || CN1 == 1 && CA2 == 1 && CA3 ==1 || CN1 == 1 && CA2 == 1 && CN3 ==1 || CA1 == 1 && CA2 == 1 && CA3 ==1 || CA1 == 1 && CA2 == 1 && CN3 ==1 || CA1 == 1 && CN2 == 1 && CN3 ==1 || CA1 == 1 && CN2 == 1 && CA3 ==1
| |
| − | abnormal{i,1}=test{1,1};
| |
| − | abnormal{i,2}=[test{1,2}; test{2,2}; test{3,2}];
| |
| − | abnormal{i,3}=[test{1,3}; test{2,3}; test{3,3}];
| |
| − |
| |
| − | elseif CN1 == 1 && CN2 == 1 && CF3 ==1 || CN1 == 1 && CA2 == 1 && CF3 ==1 ||CN1 == 1 && CF2 == 1 && CA3 ==1 || CN1 == 1 && CF2 == 1 && CF3 ==1 ||CN1 == 1 && CF2 == 1 && CN3 ==1 || CA1 == 1 && CA2 == 1 && CF3 ==1 ||CA1 == 1 && CN2 == 1 && CF3 ==1 || CA1 == 1 && CF2 == 1 && CN3 ==1 ||CA1 == 1 && CF2 == 1 && CF3 ==1 || CA1 == 1 && CF2 == 1 && CA3 ==1 ||CF1 == 1 && CF2 == 1 && CF3 ==1 ||CF1 == 1 && CF2 == 1 && CN3 ==1 ||CF1 == 1 && CF2 == 1 && CA3 ==1 ||CF1 == 1 && CN2 == 1 && CN3 ==1 ||CF1 == 1 && CN2 == 1 && CA3 ==1 ||CF1 == 1 && CN2 == 1 && CF3 ==1 ||CF1 == 1 && CA2 == 1 && CN3 ==1 ||CF1 == 1 && CA2 == 1 && CA3 ==1 ||CF1 == 1 && CA2 == 1 && CF3 ==1
| |
| − | failed{i,1}=test{1,1};
| |
| − | failed{i,2}=[test{1,2}; test{2,2}; test{3,2}];
| |
| − | failed{i,3}=[test{1,3}; test{2,3}; test{3,3}];
| |
| − |
| |
| − | end
| |
| − |
| |
| − | FinalcountFailed = countFailed/3;
| |
| − | FinalcountNormal = countNormal/3;
| |
| − | FinalcountAbnormal = countAbnormal/3;
| |
| − |
| |
| − |
| |
| − |
| |
| − | end
| |
| − |
| |
| − | toc;
| |
