I  U  P  A  C

 

 

 

News & Notices

Organizations & People

Standing Committees

Divisions

Projects

Reports

Publications
. . CI
. . PAC
. . Macro. Symp.

. . Books
. . Solubility Data

Symposia

AMP

Links of Interest

Search the Site

Home Page

 

Pure Appl. Chem. 75(11/12), 2397-2403, 2003

Pure and Applied Chemistry

Vol. 75, Issues 11-12

The nature of the ligand-binding pocket of estrogen receptor alpha and beta: The search for subtype-selective ligands and implications for the prediction of estrogenic activity

J. A. Katzenellenbogen, R. Muthyala, and B. S. Katzenellenbogen

Departments of Chemistry, Molecular and Integrative Physiology, University of Illinois, Urbana, IL 61801, USA

Abstract: The ligand-binding pockets of estrogen receptor alpha and beta (ERa and ERb) appear to have subpockets of different size and flexibility. To find ligands that will discriminate between the two ER subtypes on the basis of affinity or efficacy, we have prepared compounds of varying size, shape and structure. We have evaluated the binding affinity of these compounds and their potency and efficacy as transcriptional activators through ERa and ERb. In this manner, we have identified a number of ligands that show pronounced ER subtype selectivity. These studies also highlight the eclectic structure–activity relationships of estrogens and the challenges inherent in developing computational methods for the prediction of estrogenic activity.

*Report from a SCOPE/IUPAC project: Implication of Endocrine Active Substances for Human and Wildlife (J. Miyamoto and J.Burger, editors). Other reports are published in this issue, pp. 1617-2615.


Page last modified 11 February 2004.
Copyright © 2004 International Union of Pure and Applied Chemistry.
Questions or comments about IUPAC, please contact, the Secretariat.
Questions regarding the website, please contact web manager.