Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands. - Wikidata - awgldk - TriplyDB

Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands.

Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands.

http://www.wikidata.org/entity/Q35789274

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PubChem structure–activity relationship (SAR) clusters Anti-androgen flutamide suppresses hepatocellular carcinoma cell proliferation via the aryl hydrocarbon receptor mediated induction of transforming growth factor-β1 Exactly the same but different: promiscuity and diversity in the molecular mechanisms of action of the aryl hydrocarbon (dioxin) receptor The anti-inflammatory drug leflunomide is an agonist of the aryl hydrocarbon receptor Access Path to the Ligand Binding Pocket May Play a Role in Xenobiotics Selection by AhR Software and resources for computational medicinal chemistry Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor Mechanistic Investigations Into the Developmental Toxicity of Nitrated and Heterocyclic PAHs The aryl hydrocarbon receptor is required for induction of p21cip1/waf1 expression and growth inhibition by SU5416 in hepatoma cells.The aryl hydrocarbon receptor mediates raloxifene-induced apoptosis in estrogen receptor-negative hepatoma and breast cancer cells.Mono-substituted isopropylated triaryl phosphate, a major component of Firemaster 550, is an AHR agonist that exhibits AHR-independent cardiotoxicity in zebrafish.Development of novel CH223191-based antagonists of the aryl hydrocarbon receptor AHR2 mutant reveals functional diversity of aryl hydrocarbon receptors in zebrafish Methysticin and 7,8-dihydromethysticin are two major kavalactones in kava extract to induce CYP1A1.The aryl hydrocarbon receptor mediates leflunomide-induced growth inhibition of melanoma cells.Estrogen-like activity of perfluoroalkyl acids in vivo and interaction with human and rainbow trout estrogen receptors in vitro.Suppression of cytokine-mediated complement factor gene expression through selective activation of the Ah receptor with 3',4'-dimethoxy-α-naphthoflavone A Structural Switch between Agonist and Antagonist Bound Conformations for a Ligand-Optimized Model of the Human Aryl Hydrocarbon Receptor Ligand Binding Domain Identification of a high-affinity ligand that exhibits complete aryl hydrocarbon receptor antagonism.Benzimidazoisoquinolines: a new class of rapidly metabolized aryl hydrocarbon receptor (AhR) ligands that induce AhR-dependent Tregs and prevent murine graft-versus-host disease.New aryl hydrocarbon receptor homology model targeted to improve docking reliability.Norisoboldine, an Anti-Arthritis Alkaloid Isolated from Radix Linderae, Attenuates Osteoclast Differentiation and Inflammatory Bone Erosion in an Aryl Hydrocarbon Receptor-Dependent Manner Identification of the Ah-receptor structural determinants for ligand preferences.Comparative analysis of homology models of the AH receptor ligand binding domain: verification of structure-function predictions by site-directed mutagenesis of a nonfunctional receptor.Specific ligand binding domain residues confer low dioxin responsiveness to AHR1β of Xenopus laevis HDAC turnover, CtIP acetylation and dysregulated DNA damage signaling in colon cancer cells treated with sulforaphane and related dietary isothiocyanates Advantages of cell-based high-volume screening assays to assess nuclear receptor activation during drug discovery.Aryl hydrocarbon receptor signaling involved in the invasiveness of LNCaP cells.Mechanisms of xenobiotic receptor activation: Direct vs. indirect.The antiandrogen flutamide is a novel aryl hydrocarbon receptor ligand that disrupts bile acid homeostasis in mice through induction of Abcc4 Role of the aryl hydrocarbon receptor in carcinogenesis and potential as an anti-cancer drug target.HDAC8 and STAT3 repress BMF gene activity in colon cancer cells.Editor's Highlight: Microbial-Derived 1,4-Dihydroxy-2-naphthoic Acid and Related Compounds as Aryl Hydrocarbon Receptor Agonists/Antagonists: Structure-Activity Relationships and Receptor Modeling.Trace Derivatives of Kynurenine Potently Activate the Aryl Hydrocarbon Receptor (AHR).Aryl hydrocarbon receptor-based bioassays for dioxin detection: Thinking outside the box.Nuclear transport of the human aryl hydrocarbon receptor and subsequent gene induction relies on its residue histidine 291.Identification of potential aryl hydrocarbon receptor ligands by virtual screening of industrial chemicals.Endogenous ligands of the aryl hydrocarbon receptor regulate lung dendritic cell function.AhR sensing of bacterial pigments regulates antibacterial defence.

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P2860

Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands.

http://www.wikidata.org/entity/Q35789274

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2009 nî lūn-bûn

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Modeling of the aryl hydrocarb ...... ng to predict new AhR ligands.

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Modeling of the aryl hydrocarb ...... ng to predict new AhR ligands.

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Modeling of the aryl hydrocarb ...... ng to predict new AhR ligands.

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Modeling of the aryl hydrocarb ...... ng to predict new AhR ligands.

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Modeling of the aryl hydrocarb ...... ng to predict new AhR ligands.

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Modeling of the aryl hydrocarb ...... ng to predict new AhR ligands.

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Journal of Medicinal Chemistry

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Modeling of the aryl hydrocarb ...... ng to predict new AhR ligands.

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Daniel C Koch

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Edmond F O'Donnell

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Nancy I Kerkvliet

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Robert L Tanguay

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Sammy M Khalil

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Siva Kumar Kolluri

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William H Bisson

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P2860

Structural basis for PAS domain heterodimerization in the basic helix-loop-helix-PAS transcription factor hypoxia-inducible factor

Control of T(reg) and T(H)17 cell differentiation by the aryl hydrocarbon receptor

Identification of amino acid residues in the Ah receptor involved in ligand binding

p27(Kip1) induction and inhibition of proliferation by the intracellular Ah receptor in developing thymus and hepatoma cells

The aryl hydrocarbon receptor complex and the control of gene expression

Novel target genes of the Ah (dioxin) receptor: transcriptional induction of N-myristoyltransferase 2

The aryl hydrocarbon receptor complex

The aryl hydrocarbon receptor links TH17-cell-mediated autoimmunity to environmental toxins

Pocketome via comprehensive identification and classification of ligand binding envelopes.

Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins.

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