Salicylic acid (SA) clearance for three different dose ranges is modeled as an enzyme reaction. Model parameters are optimized and Monte-Carlo analysis is performed to robustly quantify parameter estimation, variance and covariance with other parameters in the presence of noisy data..
Model number: 0280
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This is an enzyme conversion model for salicylic acid clearance simultaneously fitting three independent data sets using shared parameters. The initial concentrations of salicylic acid range over almost two orders of magnitude. kon1-> koff2-> Gp-> LSA+LE<-----> LSAE <-----> LE+LP-----> (Low Dose) <-koff1 <-kon2 kon1-> koff2-> Gp-> MSA+ME<-----> MSAE <-----> ME+MP-----> (Mid Dose) <-koff1 <-kon2 kon1-> koff2-> Gp-> HSA+HE<-----> HSAE <-----> HE+HP-----> (Hi Dose) <-koff1 <-kon2 koff1=KD1*kon1 koff2=KD2*kon1 where LSA, MSA, and HSA are Salicylic Acid concentrations, HE, ME, and HE are the free enzyme concentrations, LSAE, MSAE, and HSAE are salicylic acid-enzyme complex concentrations, and LP, MP, and HP are the product concentrations. The parameters kon1, koff2, koff1, kon2, Gp, and the total amount of enzyme are the same for all three models.