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The Two-State Receptor Model01:29

The Two-State Receptor Model

The two-state receptor model explains a drug's interaction with receptors, such as G protein-coupled receptors and ligand-gated ion channels, to induce or inhibit a biological response. When no natural ligands are present, a receptor exists in an equilibrium of inactive (Ri) and active (Ra) conformations. The inactive form does not produce a response, while the active form generates a basal effect known as constitutive activity.
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Synthesis and Regulation of Thyroid Hormones01:20

Synthesis and Regulation of Thyroid Hormones

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Upon reaching the thyroid gland, TSH stimulates the follicular cells' active uptake of iodide ions from the blood. The ions diffuse to the apical surface of the cells and are oxidized to iodine. The iodine is then...
Transducer Mechanism: Nuclear Receptors01:31

Transducer Mechanism: Nuclear Receptors

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Ligand Binding and Linkage00:49

Ligand Binding and Linkage

Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked.  In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence the...
Ligand Binding and Linkage00:49

Ligand Binding and Linkage

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Related Experiment Video

Updated: Jun 12, 2026

Autoradiography as a Simple and Powerful Method for Visualization and Characterization of Pharmacological Targets
10:16

Autoradiography as a Simple and Powerful Method for Visualization and Characterization of Pharmacological Targets

Published on: March 12, 2019

Structural modeling of high-affinity thyroid receptor-ligand complexes.

Alexandre Suman de Araujo1, Leandro Martínez, Ricardo de Paula Nicoluci

  • 1Instituto de Física de São Carlos, Universidade de São Paulo, Av Trabalhador SaoCarlense 400, IFSC, Grupo de Cristalografia, PO Box 369, Sao Carlos, SP 13560-970, Brazil.

European Biophysics Journal : EBJ
|June 1, 2010
PubMed
Summary
This summary is machine-generated.

Structural models of thyroid hormone receptor (TR) complexes were generated using molecular dynamics. This provides new insights into TR ligand binding, aiding pharmaceutical development for metabolic and cholesterol regulation.

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Last Updated: Jun 12, 2026

Autoradiography as a Simple and Powerful Method for Visualization and Characterization of Pharmacological Targets
10:16

Autoradiography as a Simple and Powerful Method for Visualization and Characterization of Pharmacological Targets

Published on: March 12, 2019

Area of Science:

  • Molecular biology
  • Structural biology
  • Pharmacology

Background:

  • Nuclear receptors, including thyroid hormone receptors (TRs), are crucial for regulating gene transcription and are key pharmaceutical targets.
  • TRs play a significant role in human metabolism, body weight, and lipid levels, making them important for drug development.
  • Limited structural information exists for many TR-ligand complexes, hindering the development of novel therapeutics.

Purpose of the Study:

  • To generate structural models of previously uncharacterized thyroid hormone receptor (TR)-ligand complexes.
  • To elucidate the molecular binding modes of high-affinity ligands to the TR ligand binding domain.
  • To provide novel insights for the rational design of new TR-targeting pharmaceuticals.

Main Methods:

  • Utilized molecular docking to predict ligand binding poses within the TR ligand binding domain.
  • Employed molecular dynamics simulations for structural model refinement and relaxation.
  • Applied linear interaction energy (LIE) calculations to estimate binding free energies.

Main Results:

  • Successfully generated plausible structural models for several TR-ligand complexes lacking prior structural data.
  • Detailed analysis of predicted binding modes offered new perspectives on ligand-receptor interactions.
  • Calculated binding free energies showed reasonable agreement with experimental values.

Conclusions:

  • The developed computational approach provides valuable structural insights into TR-ligand interactions.
  • These findings can guide the design and optimization of novel pharmaceutical compounds targeting TRs.
  • This study contributes to understanding TR activation mechanisms and developing drugs for metabolic disorders.