A COMFA INVESTIGATION OF SIGMA-RECEPTOR BINDING-AFFINITY - REEXAMINATION OF A SPURIOUS SIGMA-LIGAND

Authors
ABLORDEPPEY SY ELASHMAWY M FISCHER JB GLENNON RA
Citation
Sy. Ablordeppey et al., A COMFA INVESTIGATION OF SIGMA-RECEPTOR BINDING-AFFINITY - REEXAMINATION OF A SPURIOUS SIGMA-LIGAND, European journal of medicinal chemistry, 33(7-8), 1998, pp. 625-633
Citations number
26
Categorie Soggetti
Chemistry Medicinal
Journal title
European journal of medicinal chemistry → ACNP
ISSN journal
02235234
Volume
33
Issue
7-8
Year of publication
1998
Pages
625 - 633
Database
ISI
SICI code
0223-5234(1998)33:7-8<625:ACIOSB>2.0.ZU;2-F
Abstract
A comparative molecular field analysis (CoMFA) investigation was condu cted on the binding of 64 compounds to sigma(1) receptors. Although Co MFA accurately predicted the binding affinities of the 64 compounds in the final set (R-2 = 0.989), it was unable to predict the high affini ty of the previously reported bridged sigma ligand SC-50691. SC-50691, and its endo and exo isomers were synthesized and found to bind with much lower affinity than was previously reported. (C) Elsevier, Paris.