Literature DB >> 21890356

Conformationally constrained farnesoid X receptor (FXR) agonists: alternative replacements of the stilbene.

Adwoa Akwabi-Ameyaw1, Justin A Caravella, Lihong Chen, Katrina L Creech, David N Deaton, Kevin P Madauss, Harry B Marr, Aaron B Miller, Frank Navas, Derek J Parks, Paul K Spearing, Dan Todd, Shawn P Williams, G Bruce Wisely.   

Abstract

To further explore the optimum placement of the acid moiety in conformationally constrained analogs of GW 4064 1a, a series of stilbene replacements were prepared. The benzothiophene 1f and the indole 1g display the optimal orientation of the carboxylate for enhanced FXR agonist potency.
Copyright © 2011 Elsevier Ltd. All rights reserved.

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Year:  2011        PMID： 21890356     DOI： 10.1016/j.bmcl.2011.08.034

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


  7 in total

1.  Conformational dynamics of human FXR-LBD ligand interactions studied by hydrogen/deuterium exchange mass spectrometry: insights into the antagonism of the hypolipidemic agent Z-guggulsterone.

Authors:  Liping Yang; David Broderick; Yuan Jiang; Victor Hsu; Claudia S Maier
Journal:  Biochim Biophys Acta       Date:  2014-06-18

2.  Optimal affinity ranking for automated virtual screening validated in prospective D3R grand challenges.

Authors:  Bentley M Wingert; Rick Oerlemans; Carlos J Camacho
Journal:  J Comput Aided Mol Des       Date:  2017-09-16       Impact factor: 3.686

3.  Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2.

Authors:  Christina Athanasiou; Sofia Vasilakaki; Dimitris Dellis; Zoe Cournia
Journal:  J Comput Aided Mol Des       Date:  2017-11-08       Impact factor: 3.686

4.  Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2.

Authors:  Veronica Salmaso; Mattia Sturlese; Alberto Cuzzolin; Stefano Moro
Journal:  J Comput Aided Mol Des       Date:  2017-08-24       Impact factor: 3.686

5.  Identification of trisubstituted-pyrazol carboxamide analogs as novel and potent antagonists of farnesoid X receptor.

Authors:  Donna D Yu; Wenwei Lin; Barry M Forman; Taosheng Chen
Journal:  Bioorg Med Chem       Date:  2014-04-16       Impact factor: 3.641

6.  Discovery that theonellasterol a marine sponge sterol is a highly selective FXR antagonist that protects against liver injury in cholestasis.

Authors:  Barbara Renga; Andrea Mencarelli; Claudio D'Amore; Sabrina Cipriani; Maria Valeria D'Auria; Valentina Sepe; Maria Giovanna Chini; Maria Chiara Monti; Giuseppe Bifulco; Angela Zampella; Stefano Fiorucci
Journal:  PLoS One       Date:  2012-01-23       Impact factor: 3.240

7.  Synthesis of Novel Farnesoid X Receptor Agonists and Validation of Their Efficacy in Activating Differentiation of Mouse Bone Marrow-Derived Mesenchymal Stem Cells into Osteoblasts.

Authors:  Ko Fujimori; Yusuke Iguchi; Yukiko Yamashita; Keigo Gohda; Naoki Teno
Journal:  Molecules       Date:  2019-11-16       Impact factor: 4.411
  7 in total

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