The Biosimulation Approach

Fig. 3.1 Abstraction of substrate properties to common chemical principles is one of the basic concepts of the biosimulation approach (chemical abstraction). From the xenobiotic substrate molecule strategic positions for enzymatic attack are identified, since it is these that represent the reaction profile of a chemical compound in biological systems. The reaction profile determines regio-, chemo-, and stereoselectivity of enzymatic conversions. For these reasons model substrates representing the functionalities...

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