begin name bucher1 end name begin reactions ASLProt {1.0}ASLc = {1.0}ASLb ASLoOHProt {1.0}ASLoOHc = {1.0}ASLoOHb ASLpOHProt {1.0}ASLpOHc = {1.0}ASLpOHb ASProt {1.0}ASc = {1.0}ASb ASoOHProt {1.0}ASoOHc = {1.0}ASoOHb ASpOHProt {1.0}ASpOHc = {1.0}ASpOHb CRoOH {1.0}ASLoOHc = {1.0}ASoOHc CRpOH {1.0}ASLpOHc = {1.0}ASpOHc CYP3A4ASLoOH {1.0}ASLc = {1.0}ASLoOHc CYP3A4ASLpOH {1.0}ASLc = {1.0}ASLpOHc CYP3A4ASoOH {1.0}ASc = {1.0}ASoOHc CYP3A4ASpOH {1.0}ASc = {1.0}ASpOHc ExportAS {1.0}ASc = {1.0}ASm ExportASL {1.0}ASLc = {1.0}ASLm ExportASLoOH {1.0}ASLoOHc = {1.0}ASLoOHm ExportASLpOH {1.0}ASLpOHc = {1.0}ASLpOHm ExportASoOH {1.0}ASoOHc = {1.0}ASoOHm ExportASpOH {1.0}ASpOHc = {1.0}ASpOHm ImportAS {1.0}ASm = {1.0}ASc ImportASL {1.0}ASLm = {1.0}ASLc ImportASLoOH {1.0}ASLoOHm = {1.0}ASLoOHc ImportASLpOH {1.0}ASLpOHm = {1.0}ASLpOHc ImportASoOH {1.0}ASoOHm = {1.0}ASoOHc ImportASpOH {1.0}ASpOHm = {1.0}ASpOHc RASASLc {1.0}ASLc = {1.0}ASc RASASLm {1.0}ASLm = {1.0}ASm RoOHm {1.0}ASLoOHm = {1.0}ASoOHm RpOHm {1.0}ASLpOHm = {1.0}ASpOHm UGT1A3AS {1.0}ASc = {1.0}ASLc end reactions begin rate equations ASLProt = Protk1*(-ASLb[t] + ((1 - fuASL)*ASLc[t])/fuASL) ASLoOHProt = Protk1*(-ASLoOHb[t] + ((1 - fuASL)*ASLoOHc[t])/fuASL) ASLpOHProt = Protk1*(-ASLpOHb[t] + ((1 - fuASL)*ASLpOHc[t])/fuASL) ASProt = Protk1*(-ASb[t] + ((1 - fuAS)*ASc[t])/fuAS) ASoOHProt = Protk1*(-ASoOHb[t] + ((1 - fuAS)*ASoOHc[t])/fuAS) ASpOHProt = Protk1*(-ASpOHb[t] + ((1 - fuAS)*ASpOHc[t])/fuAS) CRoOH = (kCRASLc + kPONOHc)*ASLoOHc[t] CRpOH = (kCRASLc + kPONOHc)*ASLpOHc[t] CYP3A4ASLoOH = (CYP3A4ASLoOHVmax*ASLc[t])/(CYP3A4ASLoOHKm1*(1 + ASLc[t]/CYP3A4ASLoOHKm1 + ASLc[t]/CYP3A4ASLpOHKm1 + ASc[t]/CYP3A4ASoOHKm1 + ASc[t]/CYP3A4ASpOHKm1)) CYP3A4ASLpOH = (CYP3A4ASLpOHVmax*ASLc[t])/(CYP3A4ASLpOHKm1*(1 + ASLc[t]/CYP3A4ASLoOHKm1 + ASLc[t]/CYP3A4ASLpOHKm1 + ASc[t]/CYP3A4ASoOHKm1 + ASc[t]/CYP3A4ASpOHKm1)) CYP3A4ASoOH = (CYP3A4ASoOHVmax*ASc[t])/(CYP3A4ASoOHKm1*(1 + ASLc[t]/CYP3A4ASLoOHKm1 + ASLc[t]/CYP3A4ASLpOHKm1 + ASc[t]/CYP3A4ASoOHKm1 + ASc[t]/CYP3A4ASpOHKm1)) CYP3A4ASpOH = (CYP3A4ASpOHVmax*ASc[t])/(CYP3A4ASpOHKm1*(1 + ASLc[t]/CYP3A4ASLoOHKm1 + ASLc[t]/CYP3A4ASLpOHKm1 + ASc[t]/CYP3A4ASoOHKm1 + ASc[t]/CYP3A4ASpOHKm1)) ExportAS = ExportASk*ASc[t] ExportASL = ExportASLk*ASLc[t] ExportASLoOH = ExportASLoOHk*ASLoOHc[t] ExportASLpOH = ExportASLpOHk*ASLpOHc[t] ExportASoOH = ExportASoOHk*ASoOHc[t] ExportASpOH = ExportASpOHk*ASpOHc[t] ImportAS = ImportASk*ASm[t] ImportASL = ImportASLk*ASLm[t] ImportASLoOH = ImportASLoOHk*ASLoOHm[t] ImportASLpOH = ImportASLpOHk*ASLpOHm[t] ImportASoOH = ImportASoOHk*ASoOHm[t] ImportASpOH = ImportASpOHk*ASpOHm[t] RASASLc = (kCRASLc + kPONASLc)*ASLc[t] RASASLm = kCRASLm*ASLm[t] RoOHm = kCRASLm*ASLoOHm[t] RpOHm = kCRASLm*ASLpOHm[t] UGT1A3AS = (UGT1A3ASVmax*ASc[t])/(UGT1A3ASKm1 + ASc[t] + ASc[t]^2/UGT1A3ASKI1) end rate equations begin parameters CYP3A4ASLoOHKm1 = 3900.0 CYP3A4ASLoOHVmax = 39.1342 CYP3A4ASLpOHKm1 = 1400.0 CYP3A4ASLpOHVmax = 17.4446 CYP3A4ASoOHKm1 = 29700.0 CYP3A4ASoOHVmax = 47.4985 CYP3A4ASpOHKm1 = 25600.0 CYP3A4ASpOHVmax = 15.7336 ExportASLk = 0.021822 ExportASLoOHk = 0.0026674 ExportASLpOHk = 0.0011319 ExportASk = 0.002166 ExportASoOHk = 0.0015983 ExportASpOHk = 0.00079526 ImportASLk = 0.2754 ImportASLoOHk = 0.026122 ImportASLpOHk = 0.033729 ImportASk = 0.020335 ImportASoOHk = 0.00038875 ImportASpOHk = 0.0039614 Protk1 = 8.52 UGT1A3ASKI1 = 75000.0 UGT1A3ASKm1 = 12000.0 UGT1A3ASVmax = 13.5862 fuAS = 0.22 fuASL = 0.22 kCRASLc = "3.55e-05" kCRASLm = 0.005 kPONASLc = 0.0043734 kPONOHc = 0.0039829 cell = 0.0142 compartment = 1.0 medium = 2.0 end parameters begin initial conditions ASLb[0] = ASLbi ASLc[0] = ASLci ASLm[0] = ASLmi ASLoOHb[0] = ASLoOHbi ASLoOHc[0] = ASLoOHci ASLoOHm[0] = ASLoOHmi ASLpOHb[0] = ASLpOHbi ASLpOHc[0] = ASLpOHci ASLpOHm[0] = ASLpOHmi ASb[0] = ASbi ASc[0] = ASci ASm[0] = ASmi ASoOHb[0] = ASoOHbi ASoOHc[0] = ASoOHci ASoOHm[0] = ASoOHmi ASpOHb[0] = ASpOHbi ASpOHc[0] = ASpOHci ASpOHm[0] = ASpOHmi end initial conditions begin initial values ASLbi = 0.0 ASLci = 0.0 ASLmi = 30.56 ASLoOHbi = 0.0 ASLoOHci = 0.0 ASLoOHmi = 0.0 ASLpOHbi = 0.0 ASLpOHci = 0.0 ASLpOHmi = 0.0 ASbi = 0.0 ASci = 0.0 ASmi = 8797.15 ASoOHbi = 0.0 ASoOHci = 0.0 ASoOHmi = 0.0 ASpOHbi = 0.0 ASpOHci = 0.0 ASpOHmi = 0.0 end initial values begin assignment rules end assignment rules begin function definitions end function definitions begin events end events begin process annotations end process annotations begin species annotations end species annotations begin units end units