The Concept of "Conformation" and the "Combinatorial Approach" for Parameter Estimation in a Multi-compartment Model System

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We have developed a systematic method of pharmacokinetic parameter estimation based on the "law of product" and the "law of sum, " just as in the theory of probability. We named this method the "combinatorial approach, " for this approach plays an essential role in the handing of our "combinatorial model scheme" (Kurita et al., J. Pharm. Sci., submitted). First we defined the concept of "conformation" and "subconformation." In any complicated system, simple relations hold among the transfer function or the availability for subconformations. For example we have proved that for any conformation, F(C_1)+F(C_2)=F(C_1+C_2) and F(C_1*C_2)=F(C_1)×F(C_2) hold, when F(C) stands for the availability of conformation C and C_1+C_2 is the combination in parallel and C_1*C_2 is the combination in series. We have introduced the "principle of replacement" and the "principle of substitution" as a concrete method of calculation, and explained how they work using several examples. In steady-state kinetics we have defined the concepts of "upstream" conformation and "downstream" conformation for each compartment. By these availabilities, the concentration ratio between the concentration of the inlet and that of the outlet is determined and these concentrations satisfy additive relations in a log scale just as in a cascade. The combinatorial approach in pharmacokinetics is available to estimate the pharmacokinetic parameters in an intuitive and straightforward manner in a complicated multicompartment model system.
社団法人日本薬学会の論文
1988-03-25

The Concept of "Conformation" and the "Combinatorial Approach" for Parameter Estimation in a Multi-compartment Model System

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