Mirror Site, please visit our main site www.timtec.com

Text Size
Home Company News and Articles Articles Modeling of the Aryl Hydrocarbon Receptor (AhR) Ligand Binding Domain and Its Utility in Virtual Ligand Screening to Predict New AhR Ligands

News and Articles

Modeling of the Aryl Hydrocarbon Receptor (AhR) Ligand Binding Domain and Its Utility in Virtual Ligand Screening to Predict New AhR Ligands

  • Print

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.

Category: Articles

Database Access

Download SDF Files

Contact Us

P: 302-292-8500
F: 302-292-8520
This e-mail address is being protected from spambots. You need JavaScript enabled to view it.

eStore Product Search

IUPAC, Smiles, ID, MW, Name, CAS, MDL

Follow Us Message Us Friend Us Friend Us

eChemShop Chemicals, Equipment, Software

ChemDBsoft Chemical Database Software

Drug Discovery News

  • Osiris Wins Race to Market a Stem Cell Product with Canadian Go-Ahead

    Osiris Therapeutics’ adult stem cell therapy Prochymal® received approval from Health Canada for the treatment of acute graft-vs-host disease (GvHD) in children who failed to respond to steroids. The company will have to carry out certain post-launch confirmatory studies. The decision gives Osiris the distinction of being the first company to win full marketing approval [...]

  • Google Search Engine Forms Basis of Algorithm to Identify Prognostic Cancer Biomarkers

    Scientists have adapted the algorithm used by Google’s web search engine to develop a computational program that can identify panels of biomarkers for cancer prognosis. Google’s PageRank algorithm takes into account the network of hyperlinks between web documents as well as the search terms themselves to determine which pages are most relevant to a particular [...]

  • Janssen Reports Positive Phase III Data for Chronic Diabetic Peripheral Neuropathy Analgesic

    Janssen Pharmaceuticals reported Phase III results demonstrating the efficacy of Nucynta® ER (extended release tapentadol) in managing pain associated with chronic diabetic peripheral neuropathy (DPN). Janssen says the data is consistent with that of a separate study reported in 2011 in patients with DPN. Nucynta ER is a centrally acting analgesic that acts as both [...]

  • Ruga Licenses Selexagen’s RAF Kinase Program for Targeted Cancer Therapy

    Targeted cancer drug developer Ruga negotiated rights to Selexagen Therapeutics’ RAF kinase program. The firm claims the acquired technology addresses the drawbacks to BRAF inhibition as an approach to cancer therapy. Data has demonstrated that BRAF inhibition can actually induce adaptation in RAS-activated cells and promote the development of secondary skin lesions and RAS-mutated tumor [...]

  • Solvo, XenoBiotic to Provide In Vitro Transporter Services in the U.S.

    XenoBiotic Laboratories established a partnership with Hungary-based Solvo Biotechnology to offer in vitro transporter services in the U.S. Solvo will transfer its efflux and uptake transporter assays to XBL’s research facilities in New Jersey. The services will be made available to American customers through both Solvo and XBL sales channels. Through this collaboration Solvo will [...]

  • Affymetrix Launches Circulating Tumor Cell Platform in Deal with ScreenCell

    Affymetrix signed a worldwide distribution agreement for ScreenCell’s isolation devices and dilution buffers for the collection of circulating tumor cells (CTCs) in peripheral blood. The QuantiGene® ViewRNA CTC platform, which consists of ScreenCell’s products and Affymetrix’ QuantiGene ViewRNA Assays, is now available from Affymetrix. The arrangement makes Affymetrix the exclusive distributor of ScreenCell products used [...]

  • Alga Provides Feasible Mass Production System for Subunit Malaria Vaccine Candidate

    An algal system for manufacturing recombinant proteins has provided scientists with the means to generate a malaria-blocking vaccine candidate based on two native unglycosylated Plasmodium falciparum surface proteins, Pfs25 and Pfs28. The University of California, San Diego researchers produced the two P. falciparum proteins in the chloroplasts of the widely used model alga Chlamydomonas reinhardtii, [...]

  • Agilent Acquires Cancer In Vitro Diagnostic Firm Dako for $2.2B in Cash

    Agilent is buying Danish cancer in vitro diagnostics firm Dako for $2.2 billion in cash on a debt-free basis. Agilent says the acquisition is the largest in its history, and will complement its existing life science business and boost its presence in the clinical diagnostics market. “In the rapidly growing diagnostics market, Dako’s products and [...]

  • Aveo, Astellas Report Positive Data from Phase III Comparative Tivozanib Trial in RCC

    Aveo Oncology and partner Astellas Pharma Europe reported positive data from the pivotal Phase III study Viro-1, comparing the once-daily oral tyrosine kinase inhibitor candidate tivozanib with sorafenib in 517 patients with advanced renal cell carcinoma (RCC). Astellas says it plans to submit a marketing authorization application for tivozanib to the European authorities during the [...]

  • Evotec Becomes First European CRO to Offer Agilent’s RapidFire Screening Tool

    Evotec is adding Agilent Technologies’ RapidFire mass spectrometry analysis capabilities to its high-throughput screening facilities in Hamburg. RapidFire is an in-line solid-phase extraction technology. It enables ultrafast, direct analysis of native compounds for a variety of biochemical assays including routine ADME and lead discovery applications across a range of therapeutic areas. Evotec reports that it [...]

    •