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
- History of Research on the AHRThomas A. Gasiewicz, Ellen C. Henry · 2011 · Wiley eBooks
- Identifying novel aryl hydrocarbon receptor (AhR) modulators from clinically approved drugs: In silico screening and In vitro validationFarag E.S. Mosa, Mohammed A. Alqahtani, Mahmoud A. El‐Ghiaty, Khaled Barakat, Ayman O.S. El‐Kadi · 2024 · Archives of Biochemistry and Biophysics
- Aryl Hydrocarbon Receptor as a Therapeutical Target of Environmentally Induced Skin ConditionsCaroline A. Freitas, Michelle Sabrina da Silva, Bianca Aloise Maneira Corrêa Santos, Carlos Rangel Rodrigues · 2023 · Molecular Pharmacology
- The cyclin‐dependent kinase inhibitor p27Kip1 interacts with the aryl hydrocarbon receptor and negatively regulates its transcriptional activityDaniel J. Elson, Bach D. Nguyen, Rhand Wood, Yi Zhang, Verónica Puig-Sanvicens, Siva K. Kolluri · 2022 · FEBS Letters
- In silico prediction and in vivo analysis of antiestrogenic potential of 2-isopropylthioxanthone (2-ITX) in juvenile goldfish (Carassius auratus)Paolo Cocci, Matteo Mozzicafreddo, Mauro Angeletti, Gilberto Mosconi, Francesco Alessandro Palermo · 2016 · Ecotoxicology and Environmental Safety
- In-depth analysis of the interactions of various aryl hydrocarbon receptor ligands from a computational perspectiveFarag E.S. Mosa, Ayman O.S. El‐Kadi, Khaled Barakat · 2022 · Journal of Molecular Graphics and Modelling
- Discovery of Norisoboldine Analogue III11 as a Novel and Potent Aryl Hydrocarbon Receptor Agonist for the Treatment of Ulcerative ColitisLi Lin, Yongmin Liu, Li Chen, Yue Dai, Yufeng Xia · 2023 · Journal of Medicinal Chemistry
- Aryl hydrocarbon receptor-dependent toxicity by retene requires metabolic competenceChristian I Rude, Lindsay B Wilson, Jane K. La Du, Priscila M. Lalli, Sean Colby, Katherine Schultz, Jordan Ned Smith, Katrina M. Waters, Robert L. Tanguay · 2024 · Toxicological Sciences
- Evolution of Hominin Detoxification: Neanderthal and Modern Human Ah Receptor Respond Similarly to TCDDJac M. M. J. G. Aarts, Gerrit M. Alink, Henk Franssen, Wil Roebroeks · 2020 · Molecular Biology and Evolution
- Identification of viable TCDD access pathways to human AhR PAS-B ligand binding domainMosè Casalegno, Guido Raos, Guido Sello · 2021 · Journal of Molecular Graphics and Modelling
- Different AhR binding sites of diterpenoid ligands from Andrographis paniculata caused differential CYP1A1 induction in primary culture in mouse hepatocytesWaranya Chatuphonprasert, Tawun Remsungnen, Nobuo Nemoto, Kanokwan Jarukamjorn · 2011 · Toxicology in Vitro
- Nuclear transport of the human aryl hydrocarbon receptor and subsequent gene induction relies on its residue histidine 291A. Tkachenko, Marcel Bermúdez, S. Irmer-Stooff, Doris Genkinger, Frank Henkler, Gerhard Wolber, Andreas Luch · 2017 · Archives of Toxicology
- Adverse Outcome Pathway on aryl hydrocarbon receptor activation leading to early life stage mortality, via increased COX-2Jon A. Doering, Markus Hecker, Daniel L. Villeneuve, Xiaowei Zhang · 2019 · OECD series on adverse outcome pathways
- Differential Interactions of Flavonoids with the Aryl Hydrocarbon Receptor In Silico and Their Impact on Receptor Activity In VitroMonique 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
- 3′-Oxo-tabernaelegantine A (OTNA) selectively relaxes pulmonary arteries by inhibiting AhRPei 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
- Targeting the Aryl Hydrocarbon Receptor (AhR): A Review of the In-Silico Screening Approaches to Identify AhR ModulatorsFarag E.S. Mosa, Ayman O.S. El‐Kadi, Khaled Barakat · 2021 · IntechOpen eBooks
- In silico predictive studies of mAHR congener binding using homology modelling and molecular dockingRoshni Panda, A. Suneetha Susan Cleave, PK Suresh · 2012 · Toxicology and Industrial Health
- A Multicomponent Reaction-Based Platform Opens New Avenues in Aryl Hydrocarbon Receptor ModulationPau 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
- Fragile protein folds: sequence and environmental factors affecting the equilibrium of two interconverting, stably folded protein conformationsXingjian Xu, Igor Dikiy, Matthew R. Evans, Leandro Pimentel Marcelino, Kevin H. Gardner · 2021 · Magnetic Resonance
- Recurrent exon-deleting activating mutations in AHR act as drivers of urinary tract cancerJudith M. Vlaar, Anouska Borgman, Eric Kalkhoven, Denise Westland, Nicolle J.M. Besselink, Charles Shale, Bishoy M. Faltas, Peter Priestley, Ewart Kuijk, Edwin P. J. G. Cuppen · 2022 · Scientific Reports
- Molecular dynamics simulations depict structural motions of the whole human aryl hydrocarbon receptor influencing its binding of ligands and HSP90Martha 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
- Aryl-hydrocarbon receptor as a potential target for anticancer therapyYu. E. Vorontsova, Roman O. Cherezov, Kuzin Ba, Olga B. Simonova · 2018 · Biomeditsinskaya Khimiya
- POTENCY AND SPECIES SPECIFICITY OF ARYL HYDROCARBON RECEPTOR LIGANDSRichard J. Wall · 2012 · Nottingham ePrints (University of Nottingham)
- Adverse Outcome Pathway on Aryl hydrogen receptor activation leading to early life stage mortality, via reduced VEGFAmani Farhat, Sean W. Kennedy · 2019 · OECD series on adverse outcome pathways
- Novel method for quantifying AhR-ligand binding affinities using Microscale ThermophoresisAnne Stinn, Jens Furkert, Stefan H. E. Kaufmann, Pedro Moura‐Alves, Michael Kolbe · 2021 · bioRxiv (Cold Spring Harbor Laboratory)
- In vitro modulatory effects of functionalized pyrimidines and piperidine derivatives on Aryl hydrocarbon receptor (AhR) and glucocorticoid receptor (GR) activitiesMuhammad Yar, Lubna Shahzadi, Ariba Farooq, Saima Jalil Imran, José P. Cerón‐Carrasco, Helena den-Haan, Sanjay Kumar, Jorge Jpg Peña-García, Horacio Pérez‐Sánchez, Aneta Grycová et al. · 2017 · Bioorganic Chemistry
- The Aryl Hydrocarbon Receptor (AhR) as an Environmental Stress Sensor and Regulator of Skin Barrier Function: Molecular Mechanisms and Therapeutic OpportunitiesRebecca Justiniano, Georg T. Wondrak · 2016 · Springer eBooks
- Aryl-Hydrocarbon Receptor as a Potential Target for Anticancer TherapyYu. E. Vorontsova, Roman O. Cherezov, Kuzin Ba, Olga B. Simonova · 2019 · Biochemistry (Moscow) Supplement Series B Biomedical Chemistry
- Functional significance of the aryl hydrocarbon receptor in oncogenic signaling pathwaysBlake M. Arciga, Ananya Katepalli, Nagabhishek Sirpu Natesh, Emma Teixeiro, Jussuf T. Kaifi, Satyanarayana Rachagani · 2025 · Carcinogenesis
- Phytochemical Investigation on Volatile Compositions and Methoxylated Flavonoids of Agrostis gigantea Roth.Mahmoud Rafieian‐Kopaei, Azadeh Hamedi, Ebrahim Soleiman Dehkordi, Arsalan Pasdaran, Aradalan Pasdaran · 2020 · PubMed Central
- The tertiary structures of porcine AhR and ARNT proteins and molecular interactions within the TCDD/AhR/ARNT complexKarina Orlowska, Tomasz Molcan, Sylwia Świgońska, Agnieszka Sadowska, Monika Jabłońska, Anna Nynca, J Jastrzebski, Renata E. Ciereszko · 2016 · Journal of Molecular Graphics and Modelling
- COMPUTATIONAL TOXICITY ANALYSIS OF PERSISTENT ORGANIC POLLUTANTS IMPLICATED IN ENDOMETRIOSIS USING THE MODELED HUMAN ARYL HYDROCARBON RECEPTORRoshni Panda, Suneetha Susan A Cleave, P.K. Suresh · 2013 · International Journal of Pharma and Bio Sciences
- Expression of the Caenorhabditis elegans aryl hydrocarbon receptor ligand binding domainAhmed Helaly · 2011 · UPT. Syiah Kuala University Library (Syiah Kuala University)
- Postoperative gas gangrene.J. Dankert, J Oldhoff, J S Kuipers · 1967 · BMJ
- Activation mechanism of AhR pathway in intestinal epithelial cells by commensal bacteriaLudovica Marinelli · 2018 · theses.fr (ABES)
- Recombinant Expression of Functional Mouse AhR LBD in E. coliWail Elhawari, David Bell, Amer, Abeer H. · 2019 · Nottingham ePrints (University of Nottingham)
- Comment on mr-2020-372021 · Magnetic Resonance
- Comment on mr-2020-372021 · Magnetic Resonance
- Comment on mr-2020-37Kevin L Gardner · 2021 · Magnetic Resonance
- Structural variation in genomes and its role in diseaseJudith M. Vlaar · 2021
- Comment on mr-2020-372021 · Magnetic Resonance
- Hematopoietic Stem Cell Threshold Sensing Controls Regulatory Pathways Facilitating Clinically Relevant Ex Vivo Expansion for Stem Cell TransplantationAndrew Lasiter · 2012
- 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 StudyAndrej Vuckovski, Darinka Gjorgieva Ackova · 2026 · Future Pharmacology
- Etude du potentiel des molécules phytochimiques comme adjuvants thérapeutiques dans le cancer du seinThu Ha Pham · 2020 · theses.fr (ABES)
- A FACS‐Based Reporter Assay Prototype Employing the Mouse AHR Protein Sensitively and Autonomously Detects Dioxins in Amphibian CellsHéctor Brito Castillo, Gaston A. Otarola, Marco Mundaca, Jaime Aguayo, Sergio Bustamante, Sylvain Marcellini · 2026 · Journal of Applied Toxicology
- Assessment of the toxicity of different PAHs and their derivatives via their binding ability to AhR in molecular detailsWeiwei Zhu, Yuxin Chen, Xuanyu Hong, Yi Chen, Wei Chen, Zedong Ouyang, Shiheng Gui, Ruifang Fan · 2026 · Toxicology and Environmental Health Sciences
- Aryl hydrocarbon receptor activation by imidacloprid as a promoter of HER2(+) breast cancer progression: In silico, in vitro and in vivo studiesSol Buján, Noelia Victoria Miret, Dimas Torres, Carolina Andrea Pontillo, Florencia Chiappini, Alejandro J. Nicola Candia, Leguizamón Agustina, Martín Mena Sofia, Melisa Bressan, Gabriel Scicolone et al. · 2026 · Environmental Research
- BindingDB Entry 50017805: Targeting the Aryl Hydrocarbon Receptor with Microbial Metabolite Mimics Alleviates Experimental Colitis in Mice.BindingDB · 2023 · UC San Diego
- BindingDB Entry 50007074: Targeting Aryl hydrocarbon receptor for next-generation immunotherapies: Selective modulators (SAhRMs) versus rapidly metabolized ligands (RMAhRLs).BindingDB · 2021 · UC San Diego
- BindingDB Entry 50018800: An overview of aryl hydrocarbon receptor ligands in the Last two decades (2002-2022): A medicinal chemistry perspective.BindingDB · 2024 · UC San Diego
- A Lysate-Based Microscale Thermophoresis Assay for the Analysis of Ligand-Dependent Aryl Hydrocarbon Receptor ResponsesQuentin Bruxelles, Lisa Treboux, Geneviève Hamel-Côté, Rene C. Gaudreault, Francine Durocher, Caroline Diorio, Sébastien Fortin · 2026 · Biosensors