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Items: 1 to 20 of 146

1.

Prediction of binding affinity and efficacy of thyroid hormone receptor ligands using QSAR and structure-based modeling methods.

Politi R, Rusyn I, Tropsha A.

Toxicol Appl Pharmacol. 2014 Oct 1;280(1):177-89. doi: 10.1016/j.taap.2014.07.009. Epub 2014 Jul 21.

2.

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 1;272(1):67-76. doi: 10.1016/j.taap.2013.04.032. Epub 2013 May 23.

3.

Combined 3D-QSAR, molecular docking and molecular dynamics study on thyroid hormone activity of hydroxylated polybrominated diphenyl ethers to thyroid receptors β.

Li X, Ye L, Wang X, Wang X, Liu H, Zhu Y, Yu H.

Toxicol Appl Pharmacol. 2012 Dec 15;265(3):300-7. doi: 10.1016/j.taap.2012.08.030. Epub 2012 Sep 6.

PMID:
22982074
4.

Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening.

Hsieh JH, Wang XS, Teotico D, Golbraikh A, Tropsha A.

J Comput Aided Mol Des. 2008 Sep;22(9):593-609. doi: 10.1007/s10822-008-9199-2. Epub 2008 Mar 13.

PMID:
18338225
5.

Structure-based approach for the study of thyroid hormone receptor binding affinity and subtype selectivity.

Wang FF, Yang W, Shi YH, Cheng XR, Le GW.

J Biomol Struct Dyn. 2016 Oct;34(10):2251-67. doi: 10.1080/07391102.2015.1113384. Epub 2015 Dec 8.

PMID:
26510472
6.

The importance of molecular structures, endpoints' values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders.

Li J, Gramatica P.

Mol Divers. 2010 Nov;14(4):687-96. doi: 10.1007/s11030-009-9212-2. Epub 2009 Nov 17.

PMID:
19921452
7.

Endocrine-disrupting activity of per- and polyfluoroalkyl substances: Exploring combined approaches of ligand and structure based modeling.

Kar S, Sepúlveda MS, Roy K, Leszczynski J.

Chemosphere. 2017 Oct;184:514-523. doi: 10.1016/j.chemosphere.2017.06.024. Epub 2017 Jun 9.

PMID:
28622647
8.

Identification of a new hormone-binding site on the surface of thyroid hormone receptor.

Souza PC, Puhl AC, Martínez L, Aparício R, Nascimento AS, Figueira AC, Nguyen P, Webb P, Skaf MS, Polikarpov I.

Mol Endocrinol. 2014 Apr;28(4):534-45. doi: 10.1210/me.2013-1359. Epub 2014 Feb 19.

9.

CORAL: prediction of binding affinity and efficacy of thyroid hormone receptor ligands.

Toropova AP, Toropov AA, Benfenati E.

Eur J Med Chem. 2015 Aug 28;101:452-61. doi: 10.1016/j.ejmech.2015.07.012. Epub 2015 Jul 10.

PMID:
26188619
10.

Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: simulations using a novel multipoint steered molecular dynamics approach.

Martínez L, Polikarpov I, Skaf MS.

J Phys Chem B. 2008 Aug 28;112(34):10741-51. doi: 10.1021/jp803403c. Epub 2008 Aug 6.

PMID:
18681473
11.

A structural role for hormone in the thyroid hormone receptor.

Wagner RL, Apriletti JW, McGrath ME, West BL, Baxter JD, Fletterick RJ.

Nature. 1995 Dec 14;378(6558):690-7.

PMID:
7501015
12.

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;15 Suppl 11:S4. doi: 10.1186/1471-2105-15-S11-S4. Epub 2014 Oct 21.

13.

Molecular determinants of hormone mimicry: halogenated aromatic hydrocarbon environmental agents.

McKinney JD, Waller CL.

J Toxicol Environ Health B Crit Rev. 1998 Jan-Mar;1(1):27-58. Review.

PMID:
9487092
14.

The effects of endocrine-disrupting chemicals on thyroid hormone binding to Xenopus laevis transthyretin and thyroid hormone receptor.

Yamauchi K, Eguchi R, Shimada N, Ishihara A.

Clin Chem Lab Med. 2002 Dec;40(12):1250-6.

PMID:
12553426
15.
17.

Hormone selectivity in thyroid hormone receptors.

Wagner RL, Huber BR, Shiau AK, Kelly A, Cunha Lima ST, Scanlan TS, Apriletti JW, Baxter JD, West BL, Fletterick RJ.

Mol Endocrinol. 2001 Mar;15(3):398-410.

PMID:
11222741
18.

Molecular and structural biology of thyroid hormone receptors.

Apriletti JW, Ribeiro RC, Wagner RL, Feng W, Webb P, Kushner PJ, West BL, Nilsson S, Scanlan TS, Fletterick RJ, Baxter JD.

Clin Exp Pharmacol Physiol Suppl. 1998 Nov;25:S2-11. Review.

PMID:
9809185
19.

Thyroid hormone receptor-beta mutations conferring hormone resistance and reduced corepressor release exhibit decreased stability in the N-terminal ligand-binding domain.

Huber BR, Desclozeaux M, West BL, Cunha-Lima ST, Nguyen HT, Baxter JD, Ingraham HA, Fletterick RJ.

Mol Endocrinol. 2003 Jan;17(1):107-16.

PMID:
12511610
20.

Structural analysis of the thyroid hormone receptor ligand binding domain: studies using a quadrupole time-of-flight tandem mass spectrometer.

Jonsson AP, Carlquist M, Husman B, Ljunggren J, Jörnvall H, Bergman T, Griffiths WJ.

Rapid Commun Mass Spectrom. 1999;13(18):1782-91.

PMID:
10482889

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