Discovery of novel RARα agonists using pharmacophore-based virtual screening, molecular docking, and molecular dynamics simulation studies
A Ghorayshian, M Danesh, T Mostashari-Rad… - Plos One, 2023 - journals.plos.org
Nuclear retinoic acid receptors (RARs) are ligand-dependent transcription factors involved
in various biological processes, such as embryogenesis, cell proliferation, differentiation …
in various biological processes, such as embryogenesis, cell proliferation, differentiation …
Ligand‐based pharmacophore modeling and docking studies on vitamin D receptor inhibitors
In recent years, pharmacophore modeling and molecular docking approaches have been
extensively used to characterize the structural requirements and explore the conformational …
extensively used to characterize the structural requirements and explore the conformational …
Relationship between structure and conformational change of the vitamin D receptor ligand binding domain in 1α, 25-dihydroxyvitamin D3 signaling
LY Wan, YQ Zhang, MD Chen, YQ Du, CB Liu, JF Wu - Molecules, 2015 - mdpi.com
Vitamin D Receptor (VDR) belongs to the nuclear receptor (NR) superfamily. Whereas the
structure of the ligand binding domain (LBD) of VDR has been determined in great detail …
structure of the ligand binding domain (LBD) of VDR has been determined in great detail …
Inhibitors for the Vitamin D receptor–coregulator interaction
The vitamin D receptor (VDR) belongs to the superfamily of nuclear receptors and is
activated by the endogenous ligand 1, 25-dihydroxyvitamin D 3. The genomic effects …
activated by the endogenous ligand 1, 25-dihydroxyvitamin D 3. The genomic effects …
Vitamin D receptor in breast cancer tissues and its relation to estrogen receptor Alpha (ER-α) gene expression and serum 25-hydroxyvitamin D levels in Egyptian …
MA Hemida, NA AbdElmoneim, TI Hewala… - Clinical Breast …, 2019 - Elsevier
Introduction This study aimed to explore the role of vitamin D receptor (VDR) in breast
cancer tissues and its relation to serum 25-hydroxyvitamin D [25 (OH) D] levels and estrogen …
cancer tissues and its relation to serum 25-hydroxyvitamin D [25 (OH) D] levels and estrogen …
Anticancer activity of VDR-coregulator inhibitor PS121912
Purpose PS121912 has been developed as selective vitamin D receptor (VDR)-coregulator
inhibitor starting from a high throughput screening campaign to identify new agents that …
inhibitor starting from a high throughput screening campaign to identify new agents that …
A novel chemo-phenotypic method identifies mixtures of salpn, vitamin D3, and pesticides involved in the development of colorectal and pancreatic cancer
Environmental chemical (EC) exposures and our interactions with them has significantly
increased in the recent decades. Toxicity associated biological characterization of these …
increased in the recent decades. Toxicity associated biological characterization of these …
Triterpenes from Poria cocos are revealed as potential retinoid X receptor selective agonists based on cell and in silico evidence
H Xu, Y Wang, J Zhao, PW Jurutka… - Chemical Biology & …, 2020 - Wiley Online Library
Poria cocos is an edible and medicinal fungus that is widely used in Traditional Chinese
Medicines as well as in modern applications. Retinoid X receptor (RXR) occupies a central …
Medicines as well as in modern applications. Retinoid X receptor (RXR) occupies a central …
Discriminating agonist and antagonist ligands of the nuclear receptors using 3D-pharmacophores
N Lagarde, S Delahaye, JF Zagury… - Journal of cheminformatics, 2016 - Springer
Nuclear receptors (NRs) constitute an important class of therapeutic targets. We evaluated
the performance of 3D structure-based and ligand-based pharmacophore models in …
the performance of 3D structure-based and ligand-based pharmacophore models in …
Novel VDR antagonists based on the GW0742 scaffold
The vitamin D receptor is a nuclear hormone receptor that regulates cell proliferation, cell
differentiation and calcium homeostasis. The receptor is endogenously activated by 1, 25 …
differentiation and calcium homeostasis. The receptor is endogenously activated by 1, 25 …