Identification of novel farnesoid X receptor modulators using a combined ligand- and structure-based virtual screening

MedChemComm ◽  
2013 ◽  
Vol 4 (6) ◽  
pp. 920 ◽  
Author(s):  
Janosch Achenbach ◽  
Matthias Gabler ◽  
Ramona Steri ◽  
Manfred Schubert-Zsilavecz ◽  
Ewgenij Proschak
Keyword(s):  
Virtual Screening ◽  
Farnesoid X Receptor ◽  
Receptor Modulators

scholarly journals Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine Learning

ChemistryOpen ◽  
2018 ◽  
Vol 8 (1) ◽  
pp. 7-14 ◽  
Author(s):  
Daniel Merk ◽  
Francesca Grisoni ◽  
Kay Schaller ◽  
Lukas Friedrich ◽  
Gisbert Schneider
Keyword(s):  
Machine Learning ◽  
Farnesoid X Receptor ◽  
Ensemble Machine Learning ◽  
Receptor Modulators

Farnesoid X receptor modulators 2014-present: a patent review

2018 ◽  
Vol 28 (5) ◽  
pp. 351-364 ◽  
Author(s):  
Valentina Sepe ◽  
Eleonora Distrutti ◽  
Stefano Fiorucci ◽  
Angela Zampella
Keyword(s):  
Farnesoid X Receptor ◽  
Patent Review ◽  
Receptor Modulators

Synthesis and comparative assessment of bile acid C3-hydroxyl stereoisomers as farnesoid X receptor modulators

2020 ◽  
Vol 73 ◽  
pp. S300-S301
Author(s):  
Tarek Moustafa ◽  
Alex Zaufel ◽  
Sandra van de Wiel ◽  
Günter Fauler ◽  
Peter Fickert ◽  
...  
Keyword(s):  
Bile Acid ◽  
Comparative Assessment ◽  
Farnesoid X Receptor ◽  
Receptor Modulators

scholarly journals Introduction of Nonacidic Side Chains on 6-Ethylcholane Scaffolds in the Identification of Potent Bile Acid Receptor Agonists with Improved Pharmacokinetic Properties

Molecules ◽  
2019 ◽  
Vol 24 (6) ◽  
pp. 1043 ◽  
Author(s):  
Claudia Finamore ◽  
Giuliana Baronissi ◽  
Silvia Marchianò ◽  
Francesco Di Leva ◽  
Adriana Carino ◽  
...  
Keyword(s):  
Bile Acid ◽  
Metabolic Disorders ◽  
Farnesoid X Receptor ◽  
Pharmacological Characterization ◽  
Acid Receptor ◽  
Pharmacokinetic Properties ◽  
Docking Calculations ◽  
Bile Acid Receptor ◽  
Receptor Modulators

As a cellular bile acid sensor, farnesoid X receptor (FXR) and the membrane G-coupled receptor (GPBAR1) participate in maintaining bile acid, lipid, and glucose homeostasis. To date, several selective and dual agonists have been developed as promising pharmacological approach to metabolic disorders, with most of them possessing an acidic conjugable function that might compromise their pharmacokinetic distribution. Here, guided by docking calculations, nonacidic 6-ethyl cholane derivatives have been prepared. In vitro pharmacological characterization resulted in the identification of bile acid receptor modulators with improved pharmacokinetic properties.

scholarly journals Virtual Screening Approaches towards the Discovery of Toll-Like Receptor Modulators

2016 ◽  
Vol 17 (9) ◽  
pp. 1508 ◽  
Author(s):  
Lucía Pérez-Regidor ◽  
Malik Zarioh ◽  
Laura Ortega ◽  
Sonsoles Martín-Santamaría
Keyword(s):  
Virtual Screening ◽  
Toll Like Receptor ◽  
Receptor Modulators ◽  
Screening Approaches

Discovery of natural estrogen receptor modulators with structure-based virtual screening

2013 ◽  
Vol 23 (11) ◽  
pp. 3329-3333 ◽  
Author(s):  
Xianwen Cao ◽  
Jing Jiang ◽  
Shoude Zhang ◽  
Lili Zhu ◽  
Juan Zou ◽  
...  
Keyword(s):  
Estrogen Receptor ◽  
Virtual Screening ◽  
Estrogen Receptor Modulators ◽  
Receptor Modulators

scholarly journals Front Cover: Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine Learning (ChemistryOpen 1/2019)

ChemistryOpen ◽  
2018 ◽  
Vol 8 (1) ◽  
pp. 1-1 ◽  
Author(s):  
Daniel Merk ◽  
Francesca Grisoni ◽  
Kay Schaller ◽  
Lukas Friedrich ◽  
Gisbert Schneider
Keyword(s):  
Machine Learning ◽  
Farnesoid X Receptor ◽  
Front Cover ◽  
Ensemble Machine Learning ◽  
Receptor Modulators

Nonacidic Farnesoid X Receptor Modulators

2017 ◽  
Vol 60 (16) ◽  
pp. 7199-7205 ◽  
Author(s):  
Daniel Flesch ◽  
Sun-Yee Cheung ◽  
Jurema Schmidt ◽  
Matthias Gabler ◽  
Pascal Heitel ◽  
...  
Keyword(s):  
Farnesoid X Receptor ◽  
Receptor Modulators
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