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BIOMD0000000490 - Demin2013 - PKPD behaviour - 5-Lipoxygenase inhibitors

 

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Reference Publication
Publication ID: 24026253
Demin O, Karelina T, Svetlichniy D, Metelkin E, Speshilov G, Demin O Jr, Fairman D, van der Graaf PH, Agoram BM.
Systems pharmacology models can be used to understand complex pharmacokinetic-pharmacodynamic behavior: an example using 5-lipoxygenase inhibitors.
CPT Pharmacometrics Syst Pharmacol 2013; 2: e74
Institute for Systems Biology SPb, Moscow, Russia.  [more]
Model
Original Model: BIOMD0000000490.xml.origin
Submitter: Vijayalakshmi Chelliah
Submission ID: MODEL1309160000
Submission Date: 16 Sep 2013 12:08:21 UTC
Last Modification Date: 28 Apr 2014 15:46:20 UTC
Creation Date: 04 Oct 2013 12:34:12 UTC
Encoders:  Vijayalakshmi Chelliah
   Oleg Demin
set #1
bqbiol:isVersionOf Gene Ontology response to bronchodilator
Gene Ontology inflammatory response
set #2
bqbiol:hasTaxon Taxonomy Homo sapiens
set #3
bqmodel:isDerivedFrom PubMed 21560018
PubMed 22020181
PubMed 23146124
set #4
bqbiol:hasProperty Mathematical Modelling Ontology MAMO_0000046
set #5
bqbiol:hasVersion Human Disease Ontology DOID:2841
Notes
Model
Publication ID: 24026253 Submission Date: 16 Sep 2013 12:08:21 UTC Last Modification Date: 28 Apr 2014 15:46:20 UTC Creation Date: 04 Oct 2013 12:34:12 UTC
Mathematical expressions
Reactions
v1 v2 v3 v4
v5 v6 v7 v8
v9 v10in v10out v11
v12 v13 v14 v15
v16 v17 v18 v19
v20 v21 v22 v23
v24 v25 v26 v27
v28 v29 v30 v31
v32 v33 v34 v35
v36 v37 v38 v39
v40in v40out v41 v42
v43 v44 v45 v46
v47 v48 v49 v50
v51 v52 v53 v54
v55 v56 v57 v58
v59 v60 v61 v62
v63 v64    
Rules
Assignment Rule (variable: ft_zf) Assignment Rule (variable: ft_ml) Assignment Rule (variable: ZF_blood_conc) Assignment Rule (variable: ZF_airways_conc)
Assignment Rule (variable: ML_blood_conc) Assignment Rule (variable: ML_airways_conc) Assignment Rule (variable: w_EO) Assignment Rule (variable: V_CB)
Assignment Rule (variable: V_aCB) Assignment Rule (variable: V_LTC_CB) Assignment Rule (variable: V_CAW) Assignment Rule (variable: V_aCAW)
Assignment Rule (variable: V_LTC_CAW) Assignment Rule (variable: GSSG_b) Assignment Rule (variable: NADPH_b) Assignment Rule (variable: PLA2_D)
Assignment Rule (variable: PLA2_Ca) Assignment Rule (variable: Ki_AA_AA) Assignment Rule (variable: K_AA_HETE) Assignment Rule (variable: Ki_HPETE_AA)
Assignment Rule (variable: OOH_b) Assignment Rule (variable: OH_b) Assignment Rule (variable: r1) Assignment Rule (variable: r2)
Assignment Rule (variable: REDOX_b) Assignment Rule (variable: RELFLO5_b) Assignment Rule (variable: DFLOa_b) Assignment Rule (variable: FLO3_b)
Assignment Rule (variable: FLO2_b) Assignment Rule (variable: FLO3t_b) Assignment Rule (variable: FLO2t_b) Assignment Rule (variable: FLO5HP_b)
Assignment Rule (variable: C_b) Assignment Rule (variable: A_b) Assignment Rule (variable: B_b) Assignment Rule (variable: delta_LTCs_b)
Assignment Rule (variable: nom_LTCs_b) Assignment Rule (variable: den_LTCs_b) Assignment Rule (variable: C_hedh_b) Assignment Rule (variable: A_hedh_b)
Assignment Rule (variable: B_hedh_b) Assignment Rule (variable: GSSG_aw) Assignment Rule (variable: NADPH_aw) Assignment Rule (variable: OOH_aw)
Assignment Rule (variable: OH_aw) Assignment Rule (variable: REDOX_aw) Assignment Rule (variable: RELFLO5_aw) Assignment Rule (variable: DFLOa_aw)
Assignment Rule (variable: FLO3_aw) Assignment Rule (variable: FLO2_aw) Assignment Rule (variable: FLO3t_aw) Assignment Rule (variable: FLO2t_aw)
Assignment Rule (variable: FLO5HP_aw) Assignment Rule (variable: C_aw) Assignment Rule (variable: A_aw) Assignment Rule (variable: B_aw)
Assignment Rule (variable: delta_LTCs_aw) Assignment Rule (variable: nom_LTCs_aw) Assignment Rule (variable: den_LTCs_aw) Assignment Rule (variable: C_hedh_aw)
Assignment Rule (variable: A_hedh_aw) Assignment Rule (variable: B_hedh_aw) Assignment Rule (variable: OL_b) Assignment Rule (variable: OL_aw)
Assignment Rule (variable: Rec_occup_migr) Assignment Rule (variable: Ca_FEV) Assignment Rule (variable: r_out_FEV) Assignment Rule (variable: r_in_FEV)
Assignment Rule (variable: FEV1) Assignment Rule (variable: TSN) Assignment Rule (variable: TSN_Hn) Assignment Rule (variable: FEV1_percent)
Assignment Rule (variable: time_hour) Assignment Rule (variable: time_day) Assignment Rule (variable: N_EO_bm) Assignment Rule (variable: N_EO_b)
Assignment Rule (variable: N_EO_i_b) Assignment Rule (variable: N_EO_a_b) Assignment Rule (variable: EO_b_tot) Assignment Rule (variable: N_EO_b_tot)
Assignment Rule (variable: N_EO_aw) Assignment Rule (variable: N_EO_i_aw) Assignment Rule (variable: N_EO_a_aw) Assignment Rule (variable: EO_aw_tot)
Assignment Rule (variable: N_EO_aw_tot) Assignment Rule (variable: EO_b_tot_per_ss) Assignment Rule (variable: N_EO_aw_tot_perc) Assignment Rule (variable: N_EO_b_tot_perc)
Assignment Rule (variable: N_EO) Assignment Rule (variable: N_EO_a) Assignment Rule (variable: LTC4_b_pM) Assignment Rule (variable: LTs_aw_pg)
Assignment Rule (variable: LTD4_b_free) Assignment Rule (variable: ML_uM) Assignment Rule (variable: LTD4_aw_pers) Assignment Rule (variable: N_EO_perc)
Assignment Rule (variable: Hn_aw_perc) Assignment Rule (variable: N_EO_aw_perc) Assignment Rule (variable: Ca_FEV_LTR1) Assignment Rule (variable: Ca_FEV_LTR2)
Assignment Rule (variable: OL_ASM)      
Physical entities
Compartments Species
Default AA_b HPETE_b HETE_b
LTA4_b LTC4_b AA_aw
HPETE_aw HETE_aw LTA4_aw
LTC4_aw ZF_intes ML_intes
     
Vd_LTC LTC4_b_out    
Vd_LTD LTD4_b    
Vd_LTE LTE4_b    
V_B EO_b EO_i_b EO_a_b
     
V_AW EO_i_aw EO_a_aw EO_aw
IL_aw    
Vd_Hn Hn_b    
Vd_IL5 IL_b    
V_BM IL_bm EO_bm  
Vd_AW_LTC LTC4_aw_out    
Vd_AW_LTD LTD4_aw    
Vd_AW_LTE LTE4_aw    
Vd_AW_Hn Hn_aw    
Vd_ZF ZF_blood    
Vd_AW_ZF ZF_airways    
Vd_ML ML_blood    
Global parameters
Ca Ca_FEV_ex Cao_FEV DOSE_ml
DOSE_zf EC50_ML_FEV EC50_act EC50_migr
Et_LTCs FLOa F_ml F_zf
GPx GSH_aw GSH_b GS_pool_aw
GS_pool_b HEDH5 J_AW_lymfl J_BM_lymfl
K_AA K_Ca2 K_Ca3 K_Ca_FEV
K_GSH K_LTA K_LTA_GSH K_LTC
K_PLA2_Ca Kd12 Kd50 KdZ
Kd_Hn_FEV Kd_IL_migr Kd_LT Kd_LTE_migr
Kd_LTR1_FEV Kd_LTR2_FEV Kd_LT_2 Kd_gpx_GSSG
Kd_gpx_HETE5 Kd_hedh_HETE5 Kd_hedh_NADP Kd_hedh_NADPH
Kd_hedh_oxoETE5 Ke_ox Ke_red Ki_AA
Ki_HETE Ki_ML_EOa Km_1 Km_CoA_AA
Km_PLA2_APC Km_gpx_GSH Km_gpx_HPETE5 Kp_Hn_AW
Kp_LTC_AW Kp_LTD_AW Kp_LTE_AW Kp_ZF_AW
Kp_ZF_IW LOH_aw LOH_b LOOH_aw
LOOH_b MAX_FEV ML_airways ML_ex
M_Hn M_IL5 M_LTC M_LTD
M_LTE M_ML M_ZF NADP_aw
NADP_b NP_pool_aw NP_pool_b N_A_pmole
OL_b_ex PL Q_AW_blf R1_portion_EOa
R1_portion_FEV R2_portion_FEV R_FEV R_Hn_AW
R_Hn_B R_LTC_AW R_LTC_B R_LTD_AW
R_LTD_B R_LTE_AW R_LTE_B R_ZF_AW
R_ZF_B R_in_relax_FEV T TSN_0
V_CoA Vmax_PLA2 a al
ca diam_EO fup_Hn fup_LT
fup_ML fup_ZF h_act h_matur
h_migr k1 k1_min k3
k_3 k_EO_a_d k_EO_d k_EO_m
k_EO_t_baw k_EO_t_bmb k_Hn_d k_Hn_p
k_IL_d k_IL_p k_IL_t_awb k_IL_t_bbm
k_LTCs_back k_LTCs_fow k_abs_ml k_abs_zf
k_acet k_dp k_elim_ml k_elim_zf
k_fev_eff k_ggt k_gpx_cat k_hedh_1
k_hedh_2 k_hedh_3 k_hedh_4 k_lo
k_lta_syn k_ltc_ltd_el k_lte_el k_ox
k_ox2 k_red k_red2 ka
ki kia n_FEV naEO_LTCsyn
npi oral oxoETE_aw oxoETE_b
portion_migr zf_inh ft_zf ft_ml
ZF_blood_conc ZF_airways_conc ML_blood_conc ML_airways_conc
w_EO V_CB V_aCB V_LTC_CB
V_CAW V_aCAW V_LTC_CAW GSSG_b
NADPH_b PLA2_D PLA2_Ca Ki_AA_AA
K_AA_HETE Ki_HPETE_AA OOH_b OH_b
r1 r2 REDOX_b RELFLO5_b
DFLOa_b FLO3_b FLO2_b FLO3t_b
FLO2t_b FLO5HP_b C_b A_b
B_b delta_LTCs_b nom_LTCs_b den_LTCs_b
C_hedh_b A_hedh_b B_hedh_b GSSG_aw
NADPH_aw OOH_aw OH_aw REDOX_aw
RELFLO5_aw DFLOa_aw FLO3_aw FLO2_aw
FLO3t_aw FLO2t_aw FLO5HP_aw C_aw
A_aw B_aw delta_LTCs_aw nom_LTCs_aw
den_LTCs_aw C_hedh_aw A_hedh_aw B_hedh_aw
OL_b OL_aw Rec_occup_migr Ca_FEV
r_out_FEV r_in_FEV FEV1 TSN
TSN_Hn FEV1_percent time_hour time_day
N_EO_bm N_EO_b N_EO_i_b N_EO_a_b
EO_b_tot N_EO_b_tot N_EO_aw N_EO_i_aw
N_EO_a_aw EO_aw_tot N_EO_aw_tot EO_b_tot_per_ss
N_EO_aw_tot_perc N_EO_b_tot_perc N_EO N_EO_a
LTC4_b_pM LTs_aw_pg LTD4_b_free ML_uM
LTD4_aw_pers N_EO_perc Hn_aw_perc N_EO_aw_perc
Ca_FEV_LTR1 Ca_FEV_LTR2 OL_ASM  
Reactions (66)
 
 v1  → [AA_b];   {AA_b}
 
 v2 [AA_b] → ;   {AA_b}
 
 v3  → [HPETE_b];   {AA_b} , {HPETE_b} , {AA_b}
 
 v4 [HPETE_b] → [HETE_b];   {HPETE_b} , {HETE_b}
 
 v5 [HPETE_b] → [HETE_b];  
 
 v6  → [LTA4_b];  
 
 v7 [LTA4_b] → [LTC4_b];  
 
 v8 [HETE_b] → ;  
 
 v9 [LTA4_b] → ;   {LTA4_b}
 
 v10in [LTC4_b] → ;   {LTC4_b}
 
 v10out  → [LTC4_b_out];   {LTC4_b} , {LTC4_b}
 
 v11 [LTC4_b_out] → [LTD4_b];   {LTC4_b_out}
 
 v12 [LTD4_b] → [LTE4_b];   {LTD4_b}
 
 v13 [LTC4_b_out] → ;   {LTC4_b_out}
 
 v14 [LTD4_b] → ;   {LTD4_b}
 
 v15 [LTE4_b] → ;   {LTE4_b}
 
 v16 [EO_b] → [EO_i_b];   {EO_b}
 
 v17 [EO_i_b] → [EO_a_b];   {EO_i_b}
 
 v18 [EO_a_b] → [EO_b];   {EO_a_b}
 
 v19 [EO_b] → ;   {EO_b}
 
 v20 [EO_a_b] → ;   {EO_a_b}
 
 v21 [EO_i_b] → [EO_i_aw];   {EO_i_b}
 
 v22 [EO_a_b] → [EO_a_aw];   {EO_a_b}
 
 v23 [EO_b] → [EO_aw];   {EO_b}
 
 v24  → [Hn_b];   {EO_b} , {EO_i_b} , {EO_a_b} , {EO_b} , {EO_i_b} , {EO_a_b}
 
 v25 [Hn_b] → ;   {Hn_b}
 
 v26  → [IL_b];   {EO_a_b} , {EO_a_b}
 
 v27 [IL_b] → ;   {IL_b}
 
 v28 [IL_b] → [IL_bm];   {IL_b} , {IL_bm}
 
 v29  → [EO_bm];   {IL_bm} , {IL_bm}
 
 v30 [EO_bm] → [EO_b];   {EO_bm}
 
 v31  → [AA_aw];   {AA_aw}
 
 v32 [AA_aw] → ;   {AA_aw}
 
 v33  → [HPETE_aw];   {AA_aw} , {HPETE_aw} , {AA_aw}
 
 v34 [HPETE_aw] → [HETE_aw];   {HPETE_aw} , {HETE_aw}
 
 v35 [HPETE_aw] → [HETE_aw];  
 
 v36  → [LTA4_aw];  
 
 v37 [LTA4_aw] → [LTC4_aw];  
 
 v38 [HETE_aw] → ;  
 
 v39 [LTA4_aw] → ;   {LTA4_aw}
 
 v40in [LTC4_aw] → ;   {LTC4_aw}
 
 v40out  → [LTC4_aw_out];   {LTC4_aw} , {LTC4_aw}
 
 v41 [LTC4_aw_out] → [LTD4_aw];   {LTC4_aw_out}
 
 v42 [LTD4_aw] → [LTE4_aw];   {LTD4_aw}
 
 v43 [LTE4_aw] → [LTE4_b];   {LTE4_aw} , {LTE4_b}
 
 v44 [LTD4_aw] → [LTD4_b];   {LTD4_aw} , {LTD4_b}
 
 v45 [LTC4_aw_out] → [LTC4_b_out];   {LTC4_aw_out} , {LTC4_b_out}
 
 v46 [EO_aw] → [EO_i_aw];   {EO_aw}
 
 v47 [EO_i_aw] → [EO_a_aw];   {EO_i_aw}
 
 v48 [EO_a_aw] → [EO_aw];   {EO_a_aw}
 
 v49 [EO_aw] → ;   {EO_aw}
 
 v50 [EO_a_aw] → ;   {EO_a_aw}
 
 v51  → [Hn_aw];   {EO_a_aw} , {EO_i_aw} , {EO_aw} , {EO_a_aw} , {EO_i_aw} , {EO_aw}
 
 v52 [Hn_aw] → [Hn_b];   {Hn_aw} , {Hn_b}
 
 v53  → [IL_aw];   {EO_a_aw} , {EO_a_aw}
 
 v54 [IL_aw] → [IL_b];   {IL_aw} , {IL_b}
 
 v55 [LTE4_aw] → ;   {LTE4_aw}
 
 v56 [LTD4_aw] → ;   {LTD4_aw}
 
 v57 [LTC4_aw_out] → ;   {LTC4_aw_out}
 
 v58 [IL_aw] → ;   {IL_aw}
 
 v59 [Hn_aw] → ;   {Hn_aw}
 
 v60 [ZF_intes] → [ZF_blood];   {ZF_intes}
 
 v61 [ZF_blood] → [ZF_airways];   {ZF_blood} , {ZF_airways}
 
 v62 [ZF_blood] → ;   {ZF_blood}
 
 v63 [ML_intes] → [ML_blood];   {ML_intes}
 
 v64 [ML_blood] → ;   {ML_blood}
 
Rules (101)
 
 Assignment Rule (name: ft_zf) ft_zf = ceil(time/T)+ceil((time-3.6E2)/T)+ceil((time-6.6E2)/T)+ceil((time-9.6E2)/T)
 
 Assignment Rule (name: ft_ml) ft_ml = ceil(time/T)
 
 Assignment Rule (name: ZF_blood_conc) ZF_blood_conc = fup_ZF*ZF_blood
 
 Assignment Rule (name: ZF_airways_conc) ZF_airways_conc = ZF_airways
 
 Assignment Rule (name: ML_blood_conc) ML_blood_conc = fup_ML*ML_blood
 
 Assignment Rule (name: ML_airways_conc) ML_airways_conc = fup_ML*ML_blood
 
 Assignment Rule (name: w_EO) w_EO = npi*diam_EO^3.0/6.0
 
 Assignment Rule (name: V_CB) V_CB = (EO_a_b+EO_b+EO_i_b)*N_A_pmole*w_EO*V_B
 
 Assignment Rule (name: V_aCB) V_aCB = EO_a_b*N_A_pmole*w_EO*V_B
 
 Assignment Rule (name: V_LTC_CB) V_LTC_CB = (naEO_LTCsyn*(EO_b+EO_i_b)+EO_a_b)*N_A_pmole*w_EO*V_B
 
 Assignment Rule (name: V_CAW) V_CAW = (EO_a_aw+EO_aw+EO_i_aw)*N_A_pmole*w_EO*V_AW
 
 Assignment Rule (name: V_aCAW) V_aCAW = EO_a_aw*N_A_pmole*w_EO*V_AW
 
 Assignment Rule (name: V_LTC_CAW) V_LTC_CAW = (naEO_LTCsyn*(EO_aw+EO_i_aw)+EO_a_aw)*N_A_pmole*w_EO*V_AW
 
 Assignment Rule (name: GSSG_b) GSSG_b = (GS_pool_b-GSH_b)/2.0
 
 Assignment Rule (name: NADPH_b) NADPH_b = NP_pool_b-NADP_b
 
 Assignment Rule (name: PLA2_D) PLA2_D = 1.0+Ca/K_PLA2_Ca
 
 Assignment Rule (name: PLA2_Ca) PLA2_Ca = Ca/K_PLA2_Ca/PLA2_D
 
 Assignment Rule (name: Ki_AA_AA) Ki_AA_AA = Ki_AA
 
 Assignment Rule (name: K_AA_HETE) K_AA_HETE = Ki_HETE
 
 Assignment Rule (name: Ki_HPETE_AA) Ki_HPETE_AA = Ki_AA
 
 Assignment Rule (name: OOH_b) OOH_b = HPETE_b+LOOH_b
 
 Assignment Rule (name: OH_b) OH_b = HETE_b+LOH_b
 
 Assignment Rule (name: r1) r1 = k_ox+k_ox2*Ca/K_Ca2
 
 Assignment Rule (name: r2) r2 = k_red+k_red2*Ca/K_Ca2
 
 Assignment Rule (name: REDOX_b) REDOX_b = (r2/Ke_red+r1*OH_b/Ke_ox+al*ki*ZF_blood_conc/KdZ*(1.0+Ca/K_Ca3))/(r2+r1*OOH_b)
 
 Assignment Rule (name: RELFLO5_b) RELFLO5_b = (k_lo*AA_b/K_AA+k3*HPETE_b*(1.0+AA_b/Ki_AA))/(k_lta_syn+k_3*(1.0+AA_b/Ki_HPETE_AA))
 
 Assignment Rule (name: DFLOa_b) DFLOa_b = (1.0+Ca/K_Ca3)*(1.0+REDOX_b*(1.0+Ca/K_Ca2)/(1.0+Ca/K_Ca3)+AA_b/K_AA*(1.0+AA_b/Ki_AA_AA)+AA_b/Ki_AA*(1.0+HETE_b/K_AA_HETE)+RELFLO5_b*(1.0+AA_b/Ki_HPETE_AA)+HETE_b/Ki_HETE+al*ZF_blood_conc/KdZ)
 
 Assignment Rule (name: FLO3_b) FLO3_b = FLOa/DFLOa_b
 
 Assignment Rule (name: FLO2_b) FLO2_b = FLO3_b*REDOX_b
 
 Assignment Rule (name: FLO3t_b) FLO3t_b = FLO3_b*(1.0+Ca/K_Ca3)
 
 Assignment Rule (name: FLO2t_b) FLO2t_b = FLO2_b*(1.0+Ca/K_Ca2)
 
 Assignment Rule (name: FLO5HP_b) FLO5HP_b = FLO3t_b*RELFLO5_b
 
 Assignment Rule (name: C_b) C_b = HPETE_b*GSH_b*GSH_b/(Km_gpx_HPETE5*Km_gpx_GSH*Km_gpx_GSH)
 
 Assignment Rule (name: A_b) A_b = GSH_b*GSH_b/(Km_gpx_GSH*Km_gpx_GSH)*(1.0+GSSG_b/Kd_gpx_GSSG)+HPETE_b/Km_gpx_HPETE5*(1.0+HETE_b/Kd_gpx_HETE5)+C_b
 
 Assignment Rule (name: B_b) B_b = k_gpx_cat*HPETE_b*GSH_b*GSH_b/(Km_gpx_HPETE5*Km_gpx_GSH*Km_gpx_GSH)
 
 Assignment Rule (name: delta_LTCs_b) delta_LTCs_b = 1.0+LTA4_b/K_LTA+GSH_b/K_GSH+LTA4_b*GSH_b/K_LTA/K_LTA_GSH+LTC4_b/K_LTC
 
 Assignment Rule (name: nom_LTCs_b) nom_LTCs_b = Et_LTCs*(K_LTC*k_LTCs_fow*LTA4_b*GSH_b-k_LTCs_back*K_LTA_GSH*K_GSH*LTC4_b)
 
 Assignment Rule (name: den_LTCs_b) den_LTCs_b = delta_LTCs_b*K_LTA_GSH*K_GSH*K_LTC
 
 Assignment Rule (name: C_hedh_b) C_hedh_b = (1.0+HETE_b/Kd_hedh_HETE5+NADPH_b/Kd_hedh_NADPH)*(k_hedh_3*oxoETE_b/Kd_hedh_oxoETE5+k_hedh_2*NADP_b/Kd_hedh_NADP)
 
 Assignment Rule (name: A_hedh_b) A_hedh_b = (1.0+NADP_b/Kd_hedh_NADP+oxoETE_b/Kd_hedh_oxoETE5)*(k_hedh_1*HETE_b/Kd_hedh_HETE5+k_hedh_4*NADPH_b/Kd_hedh_NADPH)+C_hedh_b
 
 Assignment Rule (name: B_hedh_b) B_hedh_b = k_hedh_1*k_hedh_2*HETE_b*NADP_b/(Kd_hedh_HETE5*Kd_hedh_NADP)-oxoETE_b*NADPH_b*k_hedh_3*k_hedh_4/(Kd_hedh_oxoETE5*Kd_hedh_NADPH)
 
 Assignment Rule (name: GSSG_aw) GSSG_aw = (GS_pool_aw-GSH_aw)/2.0
 
 Assignment Rule (name: NADPH_aw) NADPH_aw = NP_pool_aw-NADP_aw
 
 Assignment Rule (name: OOH_aw) OOH_aw = HPETE_aw+LOOH_aw
 
 Assignment Rule (name: OH_aw) OH_aw = HETE_aw+LOH_aw
 
 Assignment Rule (name: REDOX_aw) REDOX_aw = (r2/Ke_red+r1*OH_aw/Ke_ox+al*ki*ZF_airways_conc/KdZ*(1.0+Ca/K_Ca3))/(r2+r1*OOH_aw)
 
 Assignment Rule (name: RELFLO5_aw) RELFLO5_aw = (k_lo*AA_aw/K_AA+k3*HPETE_aw*(1.0+AA_aw/Ki_AA))/(k_lta_syn+k_3*(1.0+AA_aw/Ki_HPETE_AA))
 
 Assignment Rule (name: DFLOa_aw) DFLOa_aw = (1.0+Ca/K_Ca3)*(1.0+REDOX_aw*(1.0+Ca/K_Ca2)/(1.0+Ca/K_Ca3)+AA_aw/K_AA*(1.0+AA_aw/Ki_AA_AA)+AA_aw/Ki_AA*(1.0+HETE_aw/K_AA_HETE)+RELFLO5_aw*(1.0+AA_aw/Ki_HPETE_AA)+HETE_aw/Ki_HETE+al*ZF_airways_conc/KdZ)
 
 Assignment Rule (name: FLO3_aw) FLO3_aw = FLOa/DFLOa_aw
 
 Assignment Rule (name: FLO2_aw) FLO2_aw = FLO3_aw*REDOX_aw
 
 Assignment Rule (name: FLO3t_aw) FLO3t_aw = FLO3_aw*(1.0+Ca/K_Ca3)
 
 Assignment Rule (name: FLO2t_aw) FLO2t_aw = FLO2_aw*(1.0+Ca/K_Ca2)
 
 Assignment Rule (name: FLO5HP_aw) FLO5HP_aw = FLO3t_aw*RELFLO5_aw
 
 Assignment Rule (name: C_aw) C_aw = HPETE_aw*GSH_aw*GSH_aw/(Km_gpx_HPETE5*Km_gpx_GSH*Km_gpx_GSH)
 
 Assignment Rule (name: A_aw) A_aw = GSH_aw*GSH_aw/(Km_gpx_GSH*Km_gpx_GSH)*(1.0+GSSG_aw/Kd_gpx_GSSG)+HPETE_aw/Km_gpx_HPETE5*(1.0+HETE_aw/Kd_gpx_HETE5)+C_aw
 
 Assignment Rule (name: B_aw) B_aw = k_gpx_cat*HPETE_aw*GSH_aw*GSH_aw/(Km_gpx_HPETE5*Km_gpx_GSH*Km_gpx_GSH)
 
 Assignment Rule (name: delta_LTCs_aw) delta_LTCs_aw = 1.0+LTA4_aw/K_LTA+GSH_aw/K_GSH+LTA4_aw*GSH_aw/K_LTA/K_LTA_GSH+LTC4_aw/K_LTC
 
 Assignment Rule (name: nom_LTCs_aw) nom_LTCs_aw = Et_LTCs*(K_LTC*k_LTCs_fow*LTA4_aw*GSH_aw-k_LTCs_back*K_LTA_GSH*K_GSH*LTC4_aw)
 
 Assignment Rule (name: den_LTCs_aw) den_LTCs_aw = delta_LTCs_aw*K_LTA_GSH*K_GSH*K_LTC
 
 Assignment Rule (name: C_hedh_aw) C_hedh_aw = (1.0+HETE_aw/Kd_hedh_HETE5+NADPH_aw/Kd_hedh_NADPH)*(k_hedh_3*oxoETE_aw/Kd_hedh_oxoETE5+k_hedh_2*NADP_aw/Kd_hedh_NADP)
 
 Assignment Rule (name: A_hedh_aw) A_hedh_aw = (1.0+NADP_aw/Kd_hedh_NADP+oxoETE_aw/Kd_hedh_oxoETE5)*(k_hedh_1*HETE_aw/Kd_hedh_HETE5+k_hedh_4*NADPH_aw/Kd_hedh_NADPH)+C_hedh_aw
 
 Assignment Rule (name: B_hedh_aw) B_hedh_aw = k_hedh_1*k_hedh_2*HETE_aw*NADP_aw/(Kd_hedh_HETE5*Kd_hedh_NADP)-oxoETE_aw*NADPH_aw*k_hedh_3*k_hedh_4/(Kd_hedh_oxoETE5*Kd_hedh_NADPH)
 
 Assignment Rule (name: OL_b) OL_b = R1_portion_EOa*fup_LT*LTD4_b/Kd_LT/(1.0+fup_LT*LTD4_b/Kd_LT+ML_blood_conc/Ki_ML_EOa)+(1.0-R1_portion_EOa)*fup_LT*(LTC4_b_out+LTD4_b)/Kd_LT_2/(1.0+fup_LT*(LTC4_b_out+LTD4_b)/Kd_LT_2)
 
 Assignment Rule (name: OL_aw) OL_aw = R1_portion_EOa*LTD4_aw/Kd_LT/(1.0+LTD4_aw/Kd_LT+ML_airways_conc/Ki_ML_EOa)+(1.0-R1_portion_EOa)*(LTC4_aw_out+LTD4_aw)/Kd_LT_2/(1.0+(LTC4_aw_out+LTD4_aw)/Kd_LT_2)
 
 Assignment Rule (name: Rec_occup_migr) Rec_occup_migr = portion_migr*fup_LT*LTE4_b/(Kd_LTE_migr+fup_LT*LTE4_b)+(1.0-portion_migr)*IL_b/(Kd_IL_migr+IL_b)
 
 Assignment Rule (name: Ca_FEV) Ca_FEV = Cao_FEV+k_fev_eff*(R1_portion_FEV*LTD4_aw/Kd_LTR1_FEV/(1.0+LTD4_aw/Kd_LTR1_FEV+ML_airways_conc/EC50_ML_FEV)+R2_portion_FEV*(LTD4_aw+LTC4_aw_out)/Kd_LTR2_FEV/(1.0+(LTD4_aw+LTC4_aw_out)/Kd_LTR2_FEV)+(1.0-R1_portion_FEV-R2_portion_FEV)*Hn_aw/Kd_Hn_FEV/(1.0+Hn_aw/Kd_Hn_FEV))
 
 Assignment Rule (name: r_out_FEV) r_out_FEV = R_FEV-(R_FEV-(R_FEV*(R_FEV-R_in_relax_FEV)^2.0)^(1.0/3.0))*Ca_FEV^n_FEV/(K_Ca_FEV^n_FEV+Ca_FEV^n_FEV)
 
 Assignment Rule (name: r_in_FEV) r_in_FEV = r_out_FEV-(R_FEV-R_in_relax_FEV)*(R_FEV/r_out_FEV)^(5E-1)
 
 Assignment Rule (name: FEV1) FEV1 = MAX_FEV*(r_in_FEV/R_in_relax_FEV)^2.0
 
 Assignment Rule (name: TSN) TSN = TSN_0*(R_FEV-(R_FEV*(R_FEV-R_in_relax_FEV)^2.0)^(1.0/3.0))*Ca_FEV_ex^n_FEV/(K_Ca_FEV^n_FEV+Ca_FEV_ex^n_FEV)
 
 Assignment Rule (name: TSN_Hn) TSN_Hn = TSN_0*(R_FEV-(R_FEV*(R_FEV-R_in_relax_FEV)^2.0)^(1.0/3.0))*Ca_FEV^n_FEV/(K_Ca_FEV^n_FEV+Ca_FEV^n_FEV)
 
 Assignment Rule (name: FEV1_percent) FEV1_percent = (FEV1-3.528)/3.528*1E2
 
 Assignment Rule (name: time_hour) time_hour = time/6E1
 
 Assignment Rule (name: time_day) time_day = time/1.44E3
 
 Assignment Rule (name: N_EO_bm) N_EO_bm = EO_bm*6.02*1E1^8.0
 
 Assignment Rule (name: N_EO_b) N_EO_b = EO_b*6.02*1E1^8.0
 
 Assignment Rule (name: N_EO_i_b) N_EO_i_b = EO_i_b*6.02*1E1^8.0
 
 Assignment Rule (name: N_EO_a_b) N_EO_a_b = EO_a_b*6.02*1E1^8.0
 
 Assignment Rule (name: EO_b_tot) EO_b_tot = EO_b+EO_i_b+EO_a_b
 
 Assignment Rule (name: N_EO_b_tot) N_EO_b_tot = (EO_b+EO_i_b+EO_a_b)*6.02*1E1^8.0
 
 Assignment Rule (name: N_EO_aw) N_EO_aw = EO_aw*6.02*1E1^8.0
 
 Assignment Rule (name: N_EO_i_aw) N_EO_i_aw = EO_i_aw*6.02*1E1^8.0
 
 Assignment Rule (name: N_EO_a_aw) N_EO_a_aw = EO_a_aw*6.02*1E1^8.0
 
 Assignment Rule (name: EO_aw_tot) EO_aw_tot = EO_aw+EO_i_aw+EO_a_aw
 
 Assignment Rule (name: N_EO_aw_tot) N_EO_aw_tot = (EO_aw+EO_i_aw+EO_a_aw)*6.02*1E1^8.0
 
 Assignment Rule (name: EO_b_tot_per_ss) EO_b_tot_per_ss = 1E2*(EO_b_tot-5.33E-4)/5.33E-4
 
 Assignment Rule (name: N_EO_aw_tot_perc) N_EO_aw_tot_perc = N_EO_aw_tot/8.18735E5*1E2
 
 Assignment Rule (name: N_EO_b_tot_perc) N_EO_b_tot_perc = N_EO_b_tot/4.266021E6*1E2
 
 Assignment Rule (name: N_EO) N_EO = (N_EO_b_tot*V_B+N_EO_aw_tot*V_AW)/(V_B+V_AW)
 
 Assignment Rule (name: N_EO_a) N_EO_a = (N_EO_a_b*V_B+N_EO_a_aw*V_AW)/(V_B+V_AW)
 
 Assignment Rule (name: LTC4_b_pM) LTC4_b_pM = LTC4_b*1E6
 
 Assignment Rule (name: LTs_aw_pg) LTs_aw_pg = (LTC4_aw_out/fup_LT*M_LTC+LTD4_aw/fup_LT*M_LTD+LTE4_aw/fup_LT*M_LTE)/1E3
 
 Assignment Rule (name: LTD4_b_free) LTD4_b_free = LTD4_b*fup_LT
 
 Assignment Rule (name: ML_uM) ML_uM = ML_blood/1E6
 
 Assignment Rule (name: LTD4_aw_pers) LTD4_aw_pers = 1E2*LTD4_aw/2.0576E2
 
 Assignment Rule (name: N_EO_perc) N_EO_perc = 1E2*N_EO/3.58758E5
 
 Assignment Rule (name: Hn_aw_perc) Hn_aw_perc = 1E2*Hn_aw/1.4162E4
 
 Assignment Rule (name: N_EO_aw_perc) N_EO_aw_perc = 1E2*N_EO_aw_tot/8.18735E5
 
 Assignment Rule (name: Ca_FEV_LTR1) Ca_FEV_LTR1 = k_fev_eff*R1_portion_FEV*LTD4_aw/Kd_LTR1_FEV/(1.0+LTD4_aw/Kd_LTR1_FEV+ML_airways_conc/EC50_ML_FEV)/(Ca_FEV-Cao_FEV)
 
 Assignment Rule (name: Ca_FEV_LTR2) Ca_FEV_LTR2 = k_fev_eff*(R2_portion_FEV*(LTD4_aw+LTC4_aw_out)/Kd_LTR2_FEV/(1.0+(LTD4_aw+LTC4_aw_out)/Kd_LTR2_FEV)+(1.0-R1_portion_FEV-R2_portion_FEV)*Hn_aw/Kd_Hn_FEV/(1.0+Hn_aw/Kd_Hn_FEV))/(Ca_FEV-Cao_FEV)
 
 Assignment Rule (name: OL_ASM) OL_ASM = R1_portion_FEV*LTD4_aw/Kd_LTR1_FEV/(1.0+LTD4_aw/Kd_LTR1_FEV+ML_airways_conc/EC50_ML_FEV)+R2_portion_FEV*(LTD4_aw+LTC4_aw_out)/Kd_LTR2_FEV/(1.0+(LTD4_aw+LTC4_aw_out)/Kd_LTR2_FEV)+(1.0-R1_portion_FEV-R2_portion_FEV)*Hn_aw/Kd_Hn_FEV/(1.0+Hn_aw/Kd_Hn_FEV)
 
  Spatial dimensions: 3.0  Compartment size: 1.0
 
 AA_b
Compartment: Default
Initial concentration: 0.2890944
 
 HPETE_b
Compartment: Default
Initial concentration: 0.2965837
 
 HETE_b
Compartment: Default
Initial concentration: 5.037703
 
 LTA4_b
Compartment: Default
Initial concentration: 1.081167
 
 LTC4_b
Compartment: Default
Initial concentration: 0.8869873
 
 AA_aw
Compartment: Default
Initial concentration: 0.1304887
 
 HPETE_aw
Compartment: Default
Initial concentration: 1.780604
 
 HETE_aw
Compartment: Default
Initial concentration: 1.960926
 
 LTA4_aw
Compartment: Default
Initial concentration: 41.69257
 
 LTC4_aw
Compartment: Default
Initial concentration: 6.806687
 
 ZF_intes
Compartment: Default
Initial concentration: 0.0
 
 ML_intes
Compartment: Default
Initial concentration: 0.0
 
  Spatial dimensions: 3.0  Compartment size: 9.47999954223633
 
 LTC4_b_out
Compartment: Vd_LTC
Initial concentration: 2168.571
 
  Spatial dimensions: 3.0  Compartment size: 9.47999954223633
 
 LTD4_b
Compartment: Vd_LTD
Initial concentration: 1308.488
 
  Spatial dimensions: 3.0  Compartment size: 9.47999954223633
 
 LTE4_b
Compartment: Vd_LTE
Initial concentration: 2053.137
 
  Spatial dimensions: 3.0  Compartment size: 2.80999994277954
 
 EO_b
Compartment: V_B
Initial concentration: 4.68114E-7
 
 EO_i_b
Compartment: V_B
Initial concentration: 5.479176E-8
 
 EO_a_b
Compartment: V_B
Initial concentration: 5.383185E-4
 
  Spatial dimensions: 3.0  Compartment size: 0.209999993443489
 
 EO_i_aw
Compartment: V_AW
Initial concentration: 1.358698E-7
 
 EO_a_aw
Compartment: V_AW
Initial concentration: 0.001358713
 
 EO_aw
Compartment: V_AW
Initial concentration: 1.176558E-6
 
 IL_aw
Compartment: V_AW
Initial concentration: 0.6627439
 
  Spatial dimensions: 3.0  Compartment size: 78100.0
 
 Hn_b
Compartment: Vd_Hn
Initial concentration: 14995.88
 
  Spatial dimensions: 3.0  Compartment size: 10.1999998092651
 
 IL_b
Compartment: Vd_IL5
Initial concentration: 0.5994857
 
  Spatial dimensions: 3.0  Compartment size: 0.824999988079071
 
 IL_bm
Compartment: V_BM
Initial concentration: 0.4023394
 
 EO_bm
Compartment: V_BM
Initial concentration: 1.637391E-6
 
  Spatial dimensions: 3.0  Compartment size: 1.53999996185303
 
 LTC4_aw_out
Compartment: Vd_AW_LTC
Initial concentration: 359.9744
 
  Spatial dimensions: 3.0  Compartment size: 1.53999996185303
 
 LTD4_aw
Compartment: Vd_AW_LTD
Initial concentration: 205.7602
 
  Spatial dimensions: 3.0  Compartment size: 1.53999996185303
 
 LTE4_aw
Compartment: Vd_AW_LTE
Initial concentration: 322.6366
 
  Spatial dimensions: 3.0  Compartment size: 5640.0
 
 Hn_aw
Compartment: Vd_AW_Hn
Initial concentration: 14162.15
 
  Spatial dimensions: 3.0  Compartment size: 9.44999980926514
 
 ZF_blood
Compartment: Vd_ZF
Initial concentration: 0.0
 
  Spatial dimensions: 3.0  Compartment size: 3.25999999046326
 
 ZF_airways
Compartment: Vd_AW_ZF
Initial concentration: 0.0
 
  Spatial dimensions: 3.0  Compartment size: 10.0
 
 ML_blood
Compartment: Vd_ML
Initial concentration: 0.0
 
Global Parameters (263)
 
   Ca
Value: 1.0
 
   Ca_FEV_ex
Value: 10000.0
 
   Cao_FEV
Value: 10000.0
 
   DOSE_ml  
 
   DOSE_zf  
 
   EC50_ML_FEV
Value: 500.0
 
   EC50_act
Value: 0.75
 
   EC50_migr
Value: 0.115
 
   Et_LTCs
Value: 1.0
 
   FLOa
Value: 1.5
 
   F_ml
Value: 0.660688
 
   F_zf
Value: 0.082
 
   GPx
Value: 1.6
 
   GSH_aw
Value: 1000.0
 
   GSH_b
Value: 5000.0
 
   GS_pool_aw
Value: 10000.0
 
   GS_pool_b
Value: 10000.0
 
   HEDH5
Value: 0.5
 
   J_AW_lymfl
Value: 0.00115
 
   J_BM_lymfl
Value: 4.9E-4
 
   K_AA
Value: 10.74959
 
   K_Ca2
Value: 14.36738
 
   K_Ca3
Value: 7116.527
 
   K_Ca_FEV
Value: 150000.0
 
   K_GSH
Value: 744.9176
 
   K_LTA
Value: 1.75951
 
   K_LTA_GSH
Value: 1696.6
 
   K_LTC
Value: 0.1951215
 
   K_PLA2_Ca
Value: 0.1
 
   Kd12
Value: 0.0070
 
   Kd50
Value: 0.43
 
   KdZ
Value: 20.0
 
   Kd_Hn_FEV
Value: 6300000.0
 
   Kd_IL_migr
Value: 50.0
 
   Kd_LT
Value: 1000.0
 
   Kd_LTE_migr
Value: 50000.0
 
   Kd_LTR1_FEV
Value: 1000.0
 
   Kd_LTR2_FEV
Value: 10000.0
 
   Kd_LT_2
Value: 10000.0
 
   Kd_gpx_GSSG
Value: 0.07154222
 
   Kd_gpx_HETE5
Value: 6.043446
 
   Kd_hedh_HETE5
Value: 0.331696
 
   Kd_hedh_NADP
Value: 2.895899
 
   Kd_hedh_NADPH
Value: 2.685581
 
   Kd_hedh_oxoETE5
Value: 1.667019
 
   Ke_ox
Value: 99.99979
 
   Ke_red
Value: 5.761955E-7
 
   Ki_AA
Value: 551.8748
 
   Ki_HETE
Value: 0.5408177
 
   Ki_ML_EOa
Value: 500.0
 
   Km_1
Value: 2.0
 
   Km_CoA_AA
Value: 0.0050
 
   Km_PLA2_APC
Value: 20.0
 
   Km_gpx_GSH
Value: 600.0
 
   Km_gpx_HPETE5
Value: 5.974381
 
   Kp_Hn_AW
Value: 3950.0
 
   Kp_LTC_AW
Value: 0.22
 
   Kp_LTD_AW
Value: 0.22
 
   Kp_LTE_AW
Value: 0.22
 
   Kp_ZF_AW
Value: 0.204
 
   Kp_ZF_IW
Value: 0.631
 
   LOH_aw  
 
   LOH_b  
 
   LOOH_aw
Value: 20.0
 
   LOOH_b
Value: 1.0
 
   MAX_FEV
Value: 4.94
 
   ML_airways  
 
   ML_ex  
 
   M_Hn
Value: 111.2
 
   M_IL5
Value: 45000.0
 
   M_LTC
Value: 625.8
 
   M_LTD
Value: 496.7
 
   M_LTE
Value: 439.6
 
   M_ML
Value: 586.18
 
   M_ZF
Value: 236.0
 
   NADP_aw
Value: 2900.0
 
   NADP_b
Value: 2000.0
 
   NP_pool_aw
Value: 3000.0
 
   NP_pool_b
Value: 3000.0
 
   N_A_pmole
Value: 6.02E11
 
   OL_b_ex  
 
   PL
Value: 110.0
 
   Q_AW_blf
Value: 5.23
 
   R1_portion_EOa
Value: 0.39
 
   R1_portion_FEV
Value: 0.016
 
   R2_portion_FEV
Value: 0.037
 
   R_FEV
Value: 3.007
 
   R_Hn_AW
Value: 5130.0
 
   R_Hn_B
Value: 141.0
 
   R_LTC_AW
Value: 1.4
 
   R_LTC_B
Value: 0.538
 
   R_LTD_AW
Value: 1.4
 
   R_LTD_B
Value: 0.538
 
   R_LTE_AW
Value: 1.4
 
   R_LTE_B
Value: 0.538
 
   R_ZF_AW
Value: 2.96
 
   R_ZF_B
Value: 0.533
 
   R_in_relax_FEV
Value: 2.073
 
   T
Value: 1440.0
 
   TSN_0
Value: 15.5
 
   V_CoA
Value: 350.0
 
   Vmax_PLA2
Value: 450.0
 
   a
Value: 1.0
 
   al
Value: 1.0
 
   ca
Value: 10.0
 
   diam_EO
Value: 1.2E-4
 
   fup_Hn
Value: 0.77
 
   fup_LT
Value: 0.16
 
   fup_ML
Value: 0.0040
 
   fup_ZF
Value: 0.069
 
   h_act
Value: 3.0
 
   h_matur
Value: 1.0
 
   h_migr
Value: 3.0
 
   k1
Value: 1.0E-6
 
   k1_min
Value: 1.6E-7
 
   k3
Value: 34.0
 
   k_3
Value: 263640.0
 
   k_EO_a_d
Value: 1.5E-4
 
   k_EO_d
Value: 3.0E-4
 
   k_EO_m
Value: 10.0
 
   k_EO_t_baw
Value: 0.04
 
   k_EO_t_bmb
Value: 0.02
 
   k_Hn_d
Value: 0.033
 
   k_Hn_p
Value: 1.8E10
 
   k_IL_d
Value: 0.0046
 
   k_IL_p
Value: 16.0
 
   k_IL_t_awb
Value: 0.05
 
   k_IL_t_bbm
Value: 0.0010
 
   k_LTCs_back
Value: 1003.709
 
   k_LTCs_fow
Value: 1068016.0
 
   k_abs_ml
Value: 0.012
 
   k_abs_zf
Value: 0.018
 
   k_acet
Value: 0.002703885
 
   k_dp
Value: 0.067
 
   k_elim_ml
Value: 0.00225
 
   k_elim_zf
Value: 0.0040
 
   k_fev_eff
Value: 3000000.0
 
   k_ggt
Value: 0.1
 
   k_gpx_cat
Value: 0.4884995
 
   k_hedh_1
Value: 88.33768
 
   k_hedh_2
Value: 1724.404
 
   k_hedh_3
Value: 31.49749
 
   k_hedh_4
Value: 8.077531
 
   k_lo
Value: 4642.68
 
   k_lta_syn
Value: 54420.0
 
   k_ltc_ltd_el
Value: 0.1
 
   k_lte_el
Value: 0.04
 
   k_ox
Value: 2.658E-4
 
   k_ox2
Value: 67.2
 
   k_red
Value: 2.538E-4
 
   k_red2
Value: 4.428E-5
 
   ka
Value: 500.0
 
   ki
Value: 25000.0
 
   kia
Value: 0.0010
 
   n_FEV
Value: 1.0
 
   naEO_LTCsyn  
 
   npi
Value: 3.14
 
   oral
Value: 1.0
 
   oxoETE_aw  
 
   oxoETE_b  
 
   portion_migr
Value: 0.3
 
   zf_inh  
 
   ft_zf  
 
   ft_ml  
 
   ZF_blood_conc  
 
   ZF_airways_conc  
 
   ML_blood_conc  
 
   ML_airways_conc  
 
   w_EO  
 
   V_CB  
 
   V_aCB  
 
   V_LTC_CB  
 
   V_CAW  
 
   V_aCAW  
 
   V_LTC_CAW  
 
   GSSG_b  
 
   NADPH_b  
 
   PLA2_D  
 
   PLA2_Ca  
 
   Ki_AA_AA  
 
   K_AA_HETE  
 
   Ki_HPETE_AA  
 
   OOH_b  
 
   OH_b  
 
   r1  
 
   r2  
 
   REDOX_b  
 
   RELFLO5_b  
 
   DFLOa_b  
 
   FLO3_b  
 
   FLO2_b  
 
   FLO3t_b  
 
   FLO2t_b  
 
   FLO5HP_b  
 
   C_b  
 
   A_b  
 
   B_b  
 
   delta_LTCs_b  
 
   nom_LTCs_b  
 
   den_LTCs_b  
 
   C_hedh_b  
 
   A_hedh_b  
 
   B_hedh_b  
 
   GSSG_aw  
 
   NADPH_aw  
 
   OOH_aw  
 
   OH_aw  
 
   REDOX_aw  
 
   RELFLO5_aw  
 
   DFLOa_aw  
 
   FLO3_aw  
 
   FLO2_aw  
 
   FLO3t_aw  
 
   FLO2t_aw  
 
   FLO5HP_aw  
 
   C_aw  
 
   A_aw  
 
   B_aw  
 
   delta_LTCs_aw  
 
   nom_LTCs_aw  
 
   den_LTCs_aw  
 
   C_hedh_aw  
 
   A_hedh_aw  
 
   B_hedh_aw  
 
   OL_b  
 
   OL_aw  
 
   Rec_occup_migr  
 
   Ca_FEV  
 
   r_out_FEV  
 
   r_in_FEV  
 
   FEV1  
 
   TSN  
 
   TSN_Hn  
 
   FEV1_percent  
 
   time_hour  
 
   time_day  
 
   N_EO_bm  
 
   N_EO_b  
 
   N_EO_i_b  
 
   N_EO_a_b  
 
   EO_b_tot  
 
   N_EO_b_tot  
 
   N_EO_aw  
 
   N_EO_i_aw  
 
   N_EO_a_aw  
 
   EO_aw_tot  
 
   N_EO_aw_tot  
 
   EO_b_tot_per_ss  
 
   N_EO_aw_tot_perc  
 
   N_EO_b_tot_perc  
 
   N_EO  
 
   N_EO_a  
 
   LTC4_b_pM  
 
   LTs_aw_pg  
 
   LTD4_b_free  
 
   ML_uM  
 
   LTD4_aw_pers  
 
   N_EO_perc  
 
   Hn_aw_perc  
 
   N_EO_aw_perc  
 
   Ca_FEV_LTR1  
 
   Ca_FEV_LTR2  
 
   OL_ASM  
 
Representative curation result(s)
Representative curation result(s) of BIOMD0000000490

Curator's comment: (updated: 04 Oct 2013 13:33:55 BST)

Figure 2 of the reference publication has been reproduced here. To simulate the curves of Figure 2, (i) set a=1 ("1" corresponds to multiple dose administration, "0" corresponds to single dose administration), (ii) set DOSE_zf to 400 or 600 (this corresponds to the dosage of Zileuton in mg), and (iii) set DOSE_ml to 10 or 50 (this corresponds to the dosage of Montelukast in mg).

The model was simulated using Copasi v4.10 (Build 55) and the plots were generated using Gnuplot.

The Copasi file corresponding to each of these four conditions (i.e.,DOSE_zf=400,600mg and DOSE_ml=10,50mg) that can be used to generate the plots, can be downloaded (see below).

Additional file(s)
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