ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The structure-activity relationship of sweet molecules is chosen as an example to illustrate a mechanistic approach of soft agonist-receptor interactions. It is shown that an essentially geometric model of the receptor site can explain the activity of most sweet molecules, both rigid and flexible. The relevant conformations of flexible molecules in solution are extracted from a combination of NMR data and of energy calculations. A possible experimental simulation of the receptor environment in solution is illustrated by the complex of a dipeptide sweetener with a crown-ether.
Additional Material:
8 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560260525
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