EuroMUG '04 -- 4 - 5 Nov, 2004

Focused virtual screening in the human estrogen receptor

Dr. David Lloyd
Molecular Design Group, Department of Biochemistry Trinity College Dublin


A platform focused for the discovery of novel estrogen receptor modulators is presented. Optimised virtual screening of databases of commercial compounds was performed and directed the purchase of 18 candidate compounds for assay. Five active ligands were identified representing three novel chemotypes for the estrogen receptor, one with sub micromolar activity against a human breast cancer cell line.

Presentation slides:

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