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Literature DB >> 15582421

Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.

Timothy A Blizzard¹, Frank Dininno, Jerry D Morgan, Helen Y Chen, Jane Y Wu, Seongkon Kim, Wanda Chan, Elizabeth T Birzin, Yi Tien Yang, Lee-Yuh Pai, Paula M D Fitzgerald, Nandini Sharma, Ying Li, Zhoupeng Zhang, Edward C Hayes, Carolyn A Dasilva, Wei Tang, Susan P Rohrer, James M Schaeffer, Milton L Hammond.

Abstract

A series of dihydrobenzoxathiin SERAMs with alkylated pyrrolidine side chains or alkylated linkers was prepared. Minor modifications in the side chain or linker resulted in significant effects on biological activity, especially in uterine tissue.

Entities: Chemical

Mesh：

Substances：

Year: 2005 PMID： 15582421 DOI： 10.1016/j.bmcl.2004.10.036

Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823

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Cited

17 in total

1. Characterization of ligand type of estrogen receptor by MD simulation and mm-PBSA free energy analysis.

Authors: Jing-Yuan Liu; Sean D Mooney
Journal: Int J Biochem Mol Biol Date: 2011-04-23

2. Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors.

Authors: Ori Kalid; Dora Toledo Warshaviak; Sharon Shechter; Woody Sherman; Sharon Shacham
Journal: J Comput Aided Mol Des Date: 2012-09-30 Impact factor: 3.686

3. Structural analysis of estrogen receptors: interaction between estrogen receptors and cav-1 within the caveolae†.

Authors: Mayra B Pastore; Rosalina Villalon Landeros; Dong-Bao Chen; Ronald R Magness
Journal: Biol Reprod Date: 2019-02-01 Impact factor: 4.285

4. Pharmacophore modeling using site-identification by ligand competitive saturation (SILCS) with multiple probe molecules.

Authors: Wenbo Yu; Sirish Kaushik Lakkaraju; E Prabhu Raman; Lei Fang; Alexander D MacKerell
Journal: J Chem Inf Model Date: 2015-02-06 Impact factor: 4.956

Review 10. Versatility or promiscuity: the estrogen receptors, control of ligand selectivity and an update on subtype selective ligands.

Authors: Hui Wen Ng; Roger Perkins; Weida Tong; Huixiao Hong
Journal: Int J Environ Res Public Health Date: 2014-08-26 Impact factor: 3.390

Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.

1. Characterization of ligand type of estrogen receptor by MD simulation and mm-PBSA free energy analysis.

2. Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors.

3. Structural analysis of estrogen receptors: interaction between estrogen receptors and cav-1 within the caveolae†.

4. Pharmacophore modeling using site-identification by ligand competitive saturation (SILCS) with multiple probe molecules.

5. Prediction of binding affinity for estrogen receptor alpha modulators using statistical learning approaches.

6. The 2.0 A crystal structure of the ERalpha ligand-binding domain complexed with lasofoxifene.

7. Identification of xenoestrogens in food additives by an integrated in silico and in vitro approach.

8. Mechanisms of Nickel-Catalyzed Coupling Reactions and Applications in Alkene Functionalization.

9. Competitive molecular docking approach for predicting estrogen receptor subtype α agonists and antagonists.

Review 10. Versatility or promiscuity: the estrogen receptors, control of ligand selectivity and an update on subtype selective ligands.