J. Med. Chem., 2009, 52 (18), pp 5635–5641
DOI: 10.1021/jm900199u
Publication Date (Web): August 31, 2009
Abstract
The aryl hydrocarbon receptor (AhR) is a ligand-activated transcription factor; the AhR Per-AhR/Arnt-Sim (PAS) domain binds ligands. We developed homology models of the AhR PAS domain to characterize previously observed intra- and interspecies differences in ligand binding using molecular docking. In silico structure-based virtual ligand screening using our model resulted in the identification of pinocembrin and 5-hydroxy-7-methoxyflavone, which promoted nuclear translocation and transcriptional activation of AhR and AhR-dependent induction of endogenous target genes.
Company | Quick Links | Resources | Customer Support | TimTec Network |
About Us Our Customers Our Partners Register & Login Contact Site Search |
Compound Libraries Natural products Bioscreening Directory |
Glossary Database Downloads FAQs |
Customer Service Terms of Sale Your Feedback (Un)Subscribe |
eChemStore ActiMol.com MyriaScreen.com ChemDBsoft.com timtec.org |