The Strengths of Functional Group Contributions to Drug-Receptor Interactions

THE STRENGTHS OF FUNCTIONAL GROUP CONTRIBUTIONS TO DRUG-RECEPTOR INTERACTIONS 

The total free energy of interaction between a drug and its receptor provides a measure of the strength of the association between the two molecules, but teUs us little or nothing 

When cooperativity is ignored, contributions of AG values to the total free energies of binding may be added together. Approaches based on functional group additives equation (21.7) or the additivity of free enthalpy components equation (21.8) have frequently been applied to understand and predict protein-ligand interactions. Pioneering studies in this field were performed by Andrews et al. and Lau and Pettitt.  

As a first approximation, the free energy of binding can be defined in terms of the binding energies for the individual functional groups which make up the drug molecule according to equation (21.9) 

CHAPTER 21 The Role of Functional Groups in Drug-Receptor Interactions 

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IV. The Strengths of Functional Group Contributions to Drug-Receptor Interactions... 

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