Antagonists as "affinity probes" for peptide hormone receptors: QSAR studies on oxytocin receptor in the rat myometrium.
The use of competitive antagonists in receptor investigations has been based mainly on empirically established abilities to suppress biological effects of certain agonists. This information serves primarily for classification of receptors according to ligand specificities. Methods of quantitative structure-activity analysis can extend their use for investigations of preference substituent in the desired position, estimates of ligand-receptor affinities, etc., when a set of antagonists differing solely in the substituents in that position and characterized by their pA2 values, is available. In the case of a multiple substitution, contributions of single substituents on individual positions can be estimated by the Free-Wilson method and then subjected to correlation analysis. The approach is demonstrated on a group of oxytocin analogues acting as uterotonic inhibitors of oxytocin; the "intramolecular force" descriptors are used for correlation analysis.
Pliska
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Department of Animal Science, Swiss Federal Institute of Technology, Zürich.
Charton
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D057911:Angiotensin Receptor Antagonists; D000818:Animals; D003627:Data Interpretation, Statistical; D005260:Female; D066298:In Vitro Techniques; D008956:Models, Chemical; D015335:Molecular Probes; D009215:Myometrium / Q000378:metabolism*; D010121:Oxytocin / Q000031:analogs & derivatives* / Q000494:pharmacology; D051381:Rats; D018045:Receptors, Oxytocin; D013329:Structure-Activity Relationship
D057911:Angiotensin Receptor Antagonists; D015335:Molecular Probes; D018045:Receptors, Oxytocin; D010121:Oxytocin