FXR signaling in the enterohepatic system

T Matsubara, F Li, FJ Gonzalez - Molecular and cellular endocrinology, 2013 - Elsevier
Enterohepatic circulation serves to capture bile acids and other steroid metabolites
produced in the liver and secreted to the intestine, for reabsorption back into the circulation …

Recent progress on bile acid receptor modulators for treatment of metabolic diseases

Y Xu - Journal of medicinal chemistry, 2016 - ACS Publications
Bile acids are steroid-derived molecules synthesized in the liver, secreted from hepatocytes
into the bile canaliculi, and subsequently stored in the gall bladder. During the feeding, bile …

D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

Z Gaieb, S Liu, S Gathiaka, M Chiu, H Yang… - Journal of computer …, 2018 - Springer
Abstract The Drug Design Data Resource (D3R) ran Grand Challenge 2 (GC2) from
September 2016 through February 2017. This challenge was based on a dataset of …

Knocking on FXR´ s Door: The

C Gege, O Kinzel, C Steeneck, A Schulz… - Current topics in …, 2014 - ingentaconnect.com
The Farnesoid X Receptor (FXR) was recently validated in clinical studies using the bile acid
analogue Obeticholic Acid (OCA) as an attractive drug target for liver diseases such as …

[HTML][HTML] Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum

U Grienke, J Mihály-Bison, D Schuster… - Bioorganic & medicinal …, 2011 - Elsevier
The farnesoid X receptor (FXR) belonging to the metabolic subfamily of nuclear receptors is
a ligand-induced transcriptional activator. Its central function is the physiological …

[HTML][HTML] NSAIDs Ibuprofen, Indometacin and Diclofenac do not interact with Farnesoid X Receptor

J Schmidt, FM Klingler, E Proschak, D Steinhilber… - Scientific reports, 2015 - nature.com
The nuclear farnesoid X receptor (FXR) is a ligand activated transcription factor and acts as
cellular sensor for bile acids. In this role, FXR is a highly important liver protector and FXR …

Beyond bile acids: targeting Farnesoid X Receptor (FXR) with natural and synthetic ligands

A Carotti, M Marinozzi, C Custodi… - Current topics in …, 2014 - ingentaconnect.com
The modulation of FXR receptor remains an attractive area in drug discovery to develop
novel therapeutic opportunities for liver and metabolic disorders. Despite the large variety of …

Conformationally constrained farnesoid X receptor (FXR) agonists: heteroaryl replacements of the naphthalene

JY Bass, JA Caravella, L Chen, KL Creech… - Bioorganic & medicinal …, 2011 - Elsevier
To improve on the drug properties of GSK8062 1b, a series of heteroaryl bicyclic
naphthalene replacements were prepared. The quinoline 1c was an equipotent FXR agonist …

Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α, 7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine

A Gioiello, A Macchiarulo, A Carotti, P Filipponi… - Bioorganic & medicinal …, 2011 - Elsevier
Within our efforts in the discovery of novel potent and selective ligands for the FXR receptor,
23-N-(carbocinnamyloxy)-3α, 7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine was …

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

V Salmaso, M Sturlese, A Cuzzolin, S Moro - Journal of computer-aided …, 2018 - Springer
Molecular docking is a powerful tool in the field of computer-aided molecular design. In
particular, it is the technique of choice for the prediction of a ligand pose within its target …