#bucher1



#reactions
ASL_Prot:
 {1.0}ASL_c = {1.0}ASL_b
  Prot_k1 * ((1 - fu_ASL) / fu_ASL * ASL_c - ASL_b)
ASLoOH_Prot:
 {1.0}ASLoOH_c = {1.0}ASLoOH_b
  Prot_k1 * ((1 - fu_ASL) / fu_ASL * ASLoOH_c - ASLoOH_b)
ASLpOH_Prot:
 {1.0}ASLpOH_c = {1.0}ASLpOH_b
  Prot_k1 * ((1 - fu_ASL) / fu_ASL * ASLpOH_c - ASLpOH_b)
AS_Prot:
 {1.0}AS_c = {1.0}AS_b
  Prot_k1 * ((1 - fu_AS) / fu_AS * AS_c - AS_b)
ASoOH_Prot:
 {1.0}ASoOH_c = {1.0}ASoOH_b
  Prot_k1 * ((1 - fu_AS) / fu_AS * ASoOH_c - ASoOH_b)
ASpOH_Prot:
 {1.0}ASpOH_c = {1.0}ASpOH_b
  Prot_k1 * ((1 - fu_AS) / fu_AS * ASpOH_c - ASpOH_b)
CR_oOH:
 {1.0}ASLoOH_c = {1.0}ASoOH_c
  (k_CR_ASL_c + k_PON_OH_c) * ASLoOH_c
CR_pOH:
 {1.0}ASLpOH_c = {1.0}ASpOH_c
  (k_CR_ASL_c + k_PON_OH_c) * ASLpOH_c
CYP3A4_ASLoOH:
 {1.0}ASL_c = {1.0}ASLoOH_c
  CYP3A4_ASLoOH_Vmax / CYP3A4_ASLoOH_Km1 * ASL_c / (1 + AS_c / CYP3A4_ASpOH_Km1 + AS_c / CYP3A4_ASoOH_Km1 + ASL_c / CYP3A4_ASLpOH_Km1 + ASL_c / CYP3A4_ASLoOH_Km1)
CYP3A4_ASLpOH:
 {1.0}ASL_c = {1.0}ASLpOH_c
  CYP3A4_ASLpOH_Vmax / CYP3A4_ASLpOH_Km1 * ASL_c / (1 + AS_c / CYP3A4_ASpOH_Km1 + AS_c / CYP3A4_ASoOH_Km1 + ASL_c / CYP3A4_ASLpOH_Km1 + ASL_c / CYP3A4_ASLoOH_Km1)
CYP3A4_ASoOH:
 {1.0}AS_c = {1.0}ASoOH_c
  CYP3A4_ASoOH_Vmax / CYP3A4_ASoOH_Km1 * AS_c / (1 + AS_c / CYP3A4_ASpOH_Km1 + AS_c / CYP3A4_ASoOH_Km1 + ASL_c / CYP3A4_ASLpOH_Km1 + ASL_c / CYP3A4_ASLoOH_Km1)
CYP3A4_ASpOH:
 {1.0}AS_c = {1.0}ASpOH_c
  CYP3A4_ASpOH_Vmax / CYP3A4_ASpOH_Km1 * AS_c / (1 + AS_c / CYP3A4_ASpOH_Km1 + AS_c / CYP3A4_ASoOH_Km1 + ASL_c / CYP3A4_ASLpOH_Km1 + ASL_c / CYP3A4_ASLoOH_Km1)
Export_AS:
 {1.0}AS_c = {1.0}AS_m
  Export_AS_k * AS_c
Export_ASL:
 {1.0}ASL_c = {1.0}ASL_m
  Export_ASL_k * ASL_c
Export_ASLoOH:
 {1.0}ASLoOH_c = {1.0}ASLoOH_m
  Export_ASLoOH_k * ASLoOH_c
Export_ASLpOH:
 {1.0}ASLpOH_c = {1.0}ASLpOH_m
  Export_ASLpOH_k * ASLpOH_c
Export_ASoOH:
 {1.0}ASoOH_c = {1.0}ASoOH_m
  Export_ASoOH_k * ASoOH_c
Export_ASpOH:
 {1.0}ASpOH_c = {1.0}ASpOH_m
  Export_ASpOH_k * ASpOH_c
Import_AS:
 {1.0}AS_m = {1.0}AS_c
  Import_AS_k * AS_m
Import_ASL:
 {1.0}ASL_m = {1.0}ASL_c
  Import_ASL_k * ASL_m
Import_ASLoOH:
 {1.0}ASLoOH_m = {1.0}ASLoOH_c
  Import_ASLoOH_k * ASLoOH_m
Import_ASLpOH:
 {1.0}ASLpOH_m = {1.0}ASLpOH_c
  Import_ASLpOH_k * ASLpOH_m
Import_ASoOH:
 {1.0}ASoOH_m = {1.0}ASoOH_c
  Import_ASoOH_k * ASoOH_m
Import_ASpOH:
 {1.0}ASpOH_m = {1.0}ASpOH_c
  Import_ASpOH_k * ASpOH_m
R_ASASL_c:
 {1.0}ASL_c = {1.0}AS_c
  (k_CR_ASL_c + k_PON_ASL_c) * ASL_c
R_ASASL_m:
 {1.0}ASL_m = {1.0}AS_m
  k_CR_ASL_m * ASL_m
R_oOH_m:
 {1.0}ASLoOH_m = {1.0}ASoOH_m
  k_CR_ASL_m * ASLoOH_m
R_pOH_m:
 {1.0}ASLpOH_m = {1.0}ASpOH_m
  k_CR_ASL_m * ASLpOH_m
UGT1A3_AS:
 {1.0}AS_c = {1.0}ASL_c
  UGT1A3_AS_Vmax * AS_c / (UGT1A3_AS_Km1 + AS_c + AS_c * AS_c / UGT1A3_AS_KI1)


#parameters
CYP3A4_ASLoOH_Km1 = 3900.0
CYP3A4_ASLoOH_Vmax = 39.1342
CYP3A4_ASLpOH_Km1 = 1400.0
CYP3A4_ASLpOH_Vmax = 17.4446
CYP3A4_ASoOH_Km1 = 29700.0
CYP3A4_ASoOH_Vmax = 47.4985
CYP3A4_ASpOH_Km1 = 25600.0
CYP3A4_ASpOH_Vmax = 15.7336
Export_ASL_k = 0.021822
Export_ASLoOH_k = 0.0026674
Export_ASLpOH_k = 0.0011319
Export_AS_k = 0.002166
Export_ASoOH_k = 0.0015983
Export_ASpOH_k = 0.00079526
Import_ASL_k = 0.2754
Import_ASLoOH_k = 0.026122
Import_ASLpOH_k = 0.033729
Import_AS_k = 0.020335
Import_ASoOH_k = 0.00038875
Import_ASpOH_k = 0.0039614
Prot_k1 = 8.52
UGT1A3_AS_KI1 = 75000.0
UGT1A3_AS_Km1 = 12000.0
UGT1A3_AS_Vmax = 13.5862
fu_AS = 0.22
fu_ASL = 0.22
k_CR_ASL_c = 3.55e-05
k_CR_ASL_m = 0.005
k_PON_ASL_c = 0.0043734
k_PON_OH_c = 0.0039829
cell = 0.0142
compartment = 1.0
medium = 2.0


#initial values
ASL_b = 0.0
ASL_c = 0.0
ASL_m = 30.56
ASLoOH_b = 0.0
ASLoOH_c = 0.0
ASLoOH_m = 0.0
ASLpOH_b = 0.0
ASLpOH_c = 0.0
ASLpOH_m = 0.0
AS_b = 0.0
AS_c = 0.0
AS_m = 8797.15
ASoOH_b = 0.0
ASoOH_c = 0.0
ASoOH_m = 0.0
ASpOH_b = 0.0
ASpOH_c = 0.0
ASpOH_m = 0.0


#assignment rules