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- W75952503 abstract "Abstract : Purpose: Establish an estrogen receptor (ER) driven inhibitor synthesis procedure and develop a set of building blocks specific for ER-agonist/ER-antagonist interactions. Scope: The ER-binding pocket size is twice the molecular volume of 17-beta-estradiol (E2) giving rise to the tolerance of a diverse class of compounds resulting in poor interpretability of current SAR models. This project is to establish an ER driven ligand synthesis procedure and define a set of building blocks which cause specific agonist/antagonist interactions. Major Findings: 1) Estrone was found to react with most of the thiols to give hemi-thioketals as hypothesized in the proposal. 2) An improved synthetic route for the fluorescence polarization reagent (E2-FITC) for assay of ligands against ER was developed. 3) A database of thiols with agonist/antagonist preference for ER was developed using protein-ligand docking. 4) It was concluded that ER is not suitable protein for STD-NMR experiments due to high hydrophobicity and solubility issues. 5) NMR studies on human-ER-LBD may not be practical and use of ER from model systems like zebrafish might address the solubility issues." @default.
- W75952503 created "2016-06-24" @default.
- W75952503 creator A5031203088 @default.
- W75952503 date "2006-09-01" @default.
- W75952503 modified "2023-09-24" @default.
- W75952503 title "Estrogen Receptor Driven Inhibitor Synthesis" @default.
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- W75952503 hasPublicationYear "2006" @default.
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