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Journal Abstract Search

185 related items for PubMed ID: 28061508

  • 1. Structure-Based Understanding of Binding Affinity and Mode of Estrogen Receptor α Agonists and Antagonists.
    Lee S, Barron MG.
    PLoS One; 2017; 12(1):e0169607. PubMed ID: 28061508
    [Abstract] [Full Text] [Related]

  • 2. Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on estrogenic activity of hydroxylated polychlorinated biphenyls.
    Li X, Ye L, Wang X, Wang X, Liu H, Qian X, Zhu Y, Yu H.
    Sci Total Environ; 2012 Dec 15; 441():230-8. PubMed ID: 23137989
    [Abstract] [Full Text] [Related]

  • 3. Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches.
    Zhang L, Sedykh A, Tripathi A, Zhu H, Afantitis A, Mouchlis VD, Melagraki G, Rusyn I, Tropsha A.
    Toxicol Appl Pharmacol; 2013 Oct 01; 272(1):67-76. PubMed ID: 23707773
    [Abstract] [Full Text] [Related]

  • 4. Competitive molecular docking approach for predicting estrogen receptor subtype α agonists and antagonists.
    Ng HW, Zhang W, Shu M, Luo H, Ge W, Perkins R, Tong W, Hong H.
    BMC Bioinformatics; 2014 Oct 01; 15 Suppl 11(Suppl 11):S4. PubMed ID: 25349983
    [Abstract] [Full Text] [Related]

  • 5. Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor.
    Li F, Wu H, Li L, Li X, Zhao J, Peijnenburg WJ.
    Ecotoxicol Environ Saf; 2012 Jun 01; 80():273-9. PubMed ID: 22503158
    [Abstract] [Full Text] [Related]

  • 6. Elucidating Binding Sites and Affinities of ERα Agonists and Antagonists to Human Alpha-Fetoprotein by In Silico Modeling and Point Mutagenesis.
    Moldogazieva NT, Ostroverkhova DS, Kuzmich NN, Kadochnikov VV, Terentiev AA, Porozov YB.
    Int J Mol Sci; 2020 Jan 30; 21(3):. PubMed ID: 32019136
    [Abstract] [Full Text] [Related]

  • 7. Conformational dynamics of the estrogen receptor alpha: molecular dynamics simulations of the influence of binding site structure on protein dynamics.
    Celik L, Lund JD, Schiøtt B.
    Biochemistry; 2007 Feb 20; 46(7):1743-58. PubMed ID: 17249692
    [Abstract] [Full Text] [Related]

  • 8. Estrogen receptor-ligand complexes measured by chip-based nanoelectrospray mass spectrometry: an approach for the screening of endocrine disruptors.
    Bovet C, Wortmann A, Eiler S, Granger F, Ruff M, Gerrits B, Moras D, Zenobi R.
    Protein Sci; 2007 May 20; 16(5):938-46. PubMed ID: 17400923
    [Abstract] [Full Text] [Related]

  • 9. In-silico screening using flexible ligand binding pockets: a molecular dynamics-based approach.
    Sivanesan D, Rajnarayanan RV, Doherty J, Pattabiraman N.
    J Comput Aided Mol Des; 2005 Apr 20; 19(4):213-28. PubMed ID: 16163449
    [Abstract] [Full Text] [Related]

  • 10. Predicting Potential Endocrine Disrupting Chemicals Binding to Estrogen Receptor α (ERα) Using a Pipeline Combining Structure-Based and Ligand-Based in Silico Methods.
    Sellami A, Montes M, Lagarde N.
    Int J Mol Sci; 2021 Mar 11; 22(6):. PubMed ID: 33799614
    [Abstract] [Full Text] [Related]

  • 11. Molecular determinants of ligand binding modes in the histamine H(4) receptor: linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies.
    Istyastono EP, Nijmeijer S, Lim HD, van de Stolpe A, Roumen L, Kooistra AJ, Vischer HF, de Esch IJ, Leurs R, de Graaf C.
    J Med Chem; 2011 Dec 08; 54(23):8136-47. PubMed ID: 22003888
    [Abstract] [Full Text] [Related]

  • 12. In silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor α.
    McRobb FM, Kufareva I, Abagyan R.
    Toxicol Sci; 2014 Sep 08; 141(1):188-97. PubMed ID: 24928891
    [Abstract] [Full Text] [Related]

  • 13. Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations.
    Sakkiah S, Selvaraj C, Guo W, Liu J, Ge W, Patterson TA, Hong H.
    Int J Mol Sci; 2021 Aug 29; 22(17):. PubMed ID: 34502280
    [Abstract] [Full Text] [Related]

  • 14. Estrogenicity of halogenated bisphenol A: in vitro and in silico investigations.
    Zhang J, Li T, Wang T, Yuan C, Zhong S, Guan T, Li Z, Wang Y, Yu H, Luo Q, Wang Y, Zhang T.
    Arch Toxicol; 2018 Mar 29; 92(3):1215-1223. PubMed ID: 29152682
    [Abstract] [Full Text] [Related]

  • 15. Computational Study and Modified Design of Selective Dopamine D3 Receptor Agonists.
    Duan X, Zhang X, Xu B, Wang F, Lei M.
    Chem Biol Drug Des; 2016 Jul 29; 88(1):142-54. PubMed ID: 26851125
    [Abstract] [Full Text] [Related]

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  • 17. Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations.
    Zeng J, Li W, Zhao Y, Liu G, Tang Y, Jiang H.
    J Phys Chem B; 2008 Mar 06; 112(9):2719-26. PubMed ID: 18266357
    [Abstract] [Full Text] [Related]

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  • 19. Pharmacophore modeling, 3D-QSAR and molecular docking studies of benzimidazole derivatives as potential FXR agonists.
    Sindhu T, Srinivasan P.
    J Recept Signal Transduct Res; 2014 Aug 06; 34(4):241-53. PubMed ID: 25072161
    [Abstract] [Full Text] [Related]

  • 20. In silico prediction of estrogen receptor subtype binding affinity and selectivity using statistical methods and molecular docking with 2-arylnaphthalenes and 2-arylquinolines.
    Wang Z, Li Y, Ai C, Wang Y.
    Int J Mol Sci; 2010 Sep 20; 11(9):3434-58. PubMed ID: 20957105
    [Abstract] [Full Text] [Related]

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