Metabolic activation theory

Quantum mechanical approaches have been successfully used to predict hydrogen abstraction potentials and likely sites of metabolism of drug molecules [78-81]. AMI, Fukui functions, and density functional theory calculations could identify potential sites of metabolism. Activation energies for hydrogen abstraction were calculated by Olsen et al. [81] to be below 80 kj/mol, suggesting most CH groups can be metabolized which particular one depends on steric accessibility and intrinsic reactivities. 

The first chapter deals with metabolic factors affecting the biological activities of androgens. In the second chapter the structure-activity theories are reviewed. A new approach to the structure-activity relationship is offered in Chapter 3. The effects of structural and stereochemical changes on biological activities are extensively analyzed in this chapter. A new theory of steroid-receptor interaction concludes this chapter. 

Earlier theories suggested that cartilage was passively eroded in OA, but in fact, there is increased metabolic activity, suggesting a reparative response to damage. Despite the increased matrix synthesis by chondrocytes, there is a net loss of PG, as degradation proceeds faster than synthesis. 

II. Role of the K region in the metabolic activation process leading to the ultimate carcinogen. Theory of the M, L, and BK regions. Int. J. Quant. Chem., 38, 487-495. 

AMES A. AND ELIZABETH C. MILLER AND THEIR THEORY OE METABOLIC ACTIVATION... 

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