Chemical properties translation into biological activity

Translation of Chemical Properties of Polyphenols into Biological Activity with Impact on Human Health... 

Translating a known metabolic network into a dynamic model requires rate laws for all chemical reactions. The mathematical expressions depend on the underlying enzymatic mechanism they can become quite involved and may contain a large number of p>arameters. Rate laws and enzyme parameters are still unknown for most enzymes. Convenience kinetics is used to translate a biochemical network - manually into a dynamical model with plausible biological properties. It implements enzyme saturation and regulation by activators and inhibitors, covers all possible reaction stoichiometries, and can be specified by a small number of parameters. Its mathematical form makes it especially suitable for parameter estimation and optimization. In general, the convenience kinetics applies to arbitrary reaction stoichiometries and captures biologically relevant behavior such as saturation, activation, inhibition with a small number of free parameters. It represents a simple molecular reaction mechanism in which substrates bind rapadly and in random order to the enzyme. 

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