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

Bisson, William H., Koch, Daniel C., O’Donnell, Edmond F., Khalil, Sammy M., Kerkvliet, Nancy I., Tanguay, Robert L., Abagyan, Ruben, Kolluri, Siva Kumar·2009·Journal of Medicinal Chemistry

Cited by (151)

Items 101–151 of 151

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  9. Evolution of Hominin Detoxification: Neanderthal and Modern Human Ah Receptor Respond Similarly to TCDD
    Jac M. M. J. G. Aarts, Gerrit M. Alink, Henk Franssen, Wil Roebroeks · 2020 · Molecular Biology and Evolution
  10. Identification of viable TCDD access pathways to human AhR PAS-B ligand binding domain
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  11. Different AhR binding sites of diterpenoid ligands from Andrographis paniculata caused differential CYP1A1 induction in primary culture in mouse hepatocytes
    Waranya Chatuphonprasert, Tawun Remsungnen, Nobuo Nemoto, Kanokwan Jarukamjorn · 2011 · Toxicology in Vitro
  12. Nuclear transport of the human aryl hydrocarbon receptor and subsequent gene induction relies on its residue histidine 291
    A. Tkachenko, Marcel Bermúdez, S. Irmer-Stooff, Doris Genkinger, Frank Henkler, Gerhard Wolber, Andreas Luch · 2017 · Archives of Toxicology
  13. Adverse Outcome Pathway on aryl hydrocarbon receptor activation leading to early life stage mortality, via increased COX-2
    Jon A. Doering, Markus Hecker, Daniel L. Villeneuve, Xiaowei Zhang · 2019 · OECD series on adverse outcome pathways
  14. Differential Interactions of Flavonoids with the Aryl Hydrocarbon Receptor In Silico and Their Impact on Receptor Activity In Vitro
    Monique Reis de Santana, Ylanna Bonfim dos Santos, Késsia Souza Santos, Manoelito Coelho dos Santos, Maurício M. Victor, Gabriel dos Santos Ramos, Ravena Pereira do Nascimento, Sílvia Lima Costa · 2024 · Pharmaceuticals
  15. 3′-Oxo-tabernaelegantine A (OTNA) selectively relaxes pulmonary arteries by inhibiting AhR
    Pei Long, Yong Li, Qing Wen, Maohua Huang, Songtao Li, Yu‐Ning Lin, Xiao‐Jun Huang, Minfeng Chen, Jie Ouyang, Yun‐Lin Ao et al. · 2021 · Phytomedicine
  16. Targeting the Aryl Hydrocarbon Receptor (AhR): A Review of the In-Silico Screening Approaches to Identify AhR Modulators
    Farag E.S. Mosa, Ayman O.S. El‐Kadi, Khaled Barakat · 2021 · IntechOpen eBooks
  17. In silico predictive studies of mAHR congener binding using homology modelling and molecular docking
    Roshni Panda, A. Suneetha Susan Cleave, PK Suresh · 2012 · Toxicology and Industrial Health
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    Pau Nadal Rodríguez, Frederick Hartung, Marina Pedrola, Seemon Coomar, Alejandro Diaz-Moreno, Anna M. Hätälä, Katharina Maria Rolfes, Ismael Sánchez‐Vera, Joan Gil, Elı́es Molins et al. · 2025 · ACS Central Science
  19. Fragile protein folds: sequence and environmental factors affecting the equilibrium of two interconverting, stably folded protein conformations
    Xingjian Xu, Igor Dikiy, Matthew R. Evans, Leandro Pimentel Marcelino, Kevin H. Gardner · 2021 · Magnetic Resonance
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  21. Molecular dynamics simulations depict structural motions of the whole human aryl hydrocarbon receptor influencing its binding of ligands and HSP90
    Martha Cecilia Rosales‐Hernández, Martiniano Bello, Jazziel Velazquez Toledano, Barbara Citlali Escudero Feregrino, José Correa‐Basurto, Leticia Guadalupe Fragoso Morales, Mónica Torres-Ramos · 2023 · Journal of Biomolecular Structure and Dynamics
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    Richard J. Wall · 2012 · Nottingham ePrints (University of Nottingham)
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  26. In vitro modulatory effects of functionalized pyrimidines and piperidine derivatives on Aryl hydrocarbon receptor (AhR) and glucocorticoid receptor (GR) activities
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  30. Phytochemical Investigation on Volatile Compositions and Methoxylated Flavonoids of Agrostis gigantea Roth.
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  31. The tertiary structures of porcine AhR and ARNT proteins and molecular interactions within the TCDD/AhR/ARNT complex
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  32. COMPUTATIONAL TOXICITY ANALYSIS OF PERSISTENT ORGANIC POLLUTANTS IMPLICATED IN ENDOMETRIOSIS USING THE MODELED HUMAN ARYL HYDROCARBON RECEPTOR
    Roshni Panda, Suneetha Susan A Cleave, P.K. Suresh · 2013 · International Journal of Pharma and Bio Sciences
  33. Expression of the Caenorhabditis elegans aryl hydrocarbon receptor ligand binding domain
    Ahmed Helaly · 2011 · UPT. Syiah Kuala University Library (Syiah Kuala University)
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  36. Recombinant Expression of Functional Mouse AhR LBD in E. coli
    Wail Elhawari, David Bell, Amer, Abeer H. · 2019 · Nottingham ePrints (University of Nottingham)
  37. Comment on mr-2020-37
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  42. Hematopoietic Stem Cell Threshold Sensing Controls Regulatory Pathways Facilitating Clinically Relevant Ex Vivo Expansion for Stem Cell Transplantation
    Andrew Lasiter · 2012
  43. Toxicity Mechanism of 2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD) as Opportunity for Development of New Targeted Therapies Targeting Aryl Hydrocarbon Receptors (AhR)—Molecular Docking Simulation Study
    Andrej Vuckovski, Darinka Gjorgieva Ackova · 2026 · Future Pharmacology
  44. Etude du potentiel des molécules phytochimiques comme adjuvants thérapeutiques dans le cancer du sein
    Thu Ha Pham · 2020 · theses.fr (ABES)
  45. A FACS‐Based Reporter Assay Prototype Employing the Mouse AHR Protein Sensitively and Autonomously Detects Dioxins in Amphibian Cells
    Héctor Brito Castillo, Gaston A. Otarola, Marco Mundaca, Jaime Aguayo, Sergio Bustamante, Sylvain Marcellini · 2026 · Journal of Applied Toxicology
  46. Assessment of the toxicity of different PAHs and their derivatives via their binding ability to AhR in molecular details
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  47. Aryl hydrocarbon receptor activation by imidacloprid as a promoter of HER2(+) breast cancer progression: In silico, in vitro and in vivo studies
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  48. BindingDB Entry 50017805: Targeting the Aryl Hydrocarbon Receptor with Microbial Metabolite Mimics Alleviates Experimental Colitis in Mice.
    BindingDB · 2023 · UC San Diego
  49. BindingDB Entry 50007074: Targeting Aryl hydrocarbon receptor for next-generation immunotherapies: Selective modulators (SAhRMs) versus rapidly metabolized ligands (RMAhRLs).
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  50. BindingDB Entry 50018800: An overview of aryl hydrocarbon receptor ligands in the Last two decades (2002-2022): A medicinal chemistry perspective.
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  51. A Lysate-Based Microscale Thermophoresis Assay for the Analysis of Ligand-Dependent Aryl Hydrocarbon Receptor Responses
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