Drug-receptor recognition

Weinstein, H., R. Osman, and J. P. Green. 1979. The Molecular Basis of Structure-Activity Relationships Quantum Chemical Recognition Mechanisms in Drug-Receptor Interactions. In Computer-Assisted Drug Design. E. C. Olson and R. E. Christofferson, eds. American Chemical Society, Washington, D.C. 

The close proximity of the drug to the iron coordination site, and hence to the receptor recognition domain, casts some doubts as to the generality of this approach and to the scope of utilizable drugs. 

As the electrostatic potential is of importance in the study of intermolecular interactions, it has received considerable attention during the past two decades (see, e.g., articles on the molecular potential of biomolecules in Politzer and Truhlar 1981). It plays a key role in the process of molecular recognition, including drug-receptor interactions, and is an important function in the evaluation of the lattice energy, not only of ionic crystals. 

Molecules of similar biochemical activity often show common 3D shape features. Consequently, the characterization of the shapes of formal molecular bodies and the recognition, description, and, ultimately, the numerical evaluation of similarity among molecules are of major importance in modern pharmaceutical research, as well as in pesticide and herbicide chemistry. The analysis of molecular shape is an important component of research aimed at the elucidation of drug-receptor interactions and in studies of quantitative structure-activity relationships in contemporary drug design. 

The Molecular Basis of Structure-Activity Relationships Quantum Chemical Recognition Mechanisms in Drug-Receptor Interactions... 

Similarly, these methods can be used to gain insight into the molecular basis for recognition and activation in drug-receptor interactions. In the example below (section 6) we discuss the... 

---