Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1377524 | Bioorganic & Medicinal Chemistry Letters | 2007 | 4 Pages |
Abstract
Benzopyrans are selective estrogen receptor (ER) β agonists (SERBAs), which bind the ER receptor subtypes α and β in opposite orientations. We have used structure based drug design to show that this unique phenomena can be exploited via substitution at the 8-position of the benzopyran A-ring to disrupt binding to ERα, thus improving ERβ subtype selectivity. X-ray cocrystal structures with ERα and ERβ are supportive of this approach to improve selectivity in this structural class.
Graphical abstractStructure activity relationship studies of the A-ring on the benzopyran scaffold.Figure optionsDownload full-size imageDownload as PowerPoint slide
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Bryan H. Norman, Timothy I. Richardson, Jeffrey A. Dodge, Lance A. Pfeifer, Gregory L. Durst, Yong Wang, Jim D. Durbin, Venkatesh Krishnan, Sean R. Dinn, Shengquan Liu, John E. Reilly, Kendal T. Ryter,