Evidence map›Paper›PMID 22547930›Full record

ArticleJournal of biomedicine & biotechnology2012

Combined QM/MM study of thyroid and steroid hormone analogue interactions with αvβ3 integrin.

Marek Freindorf, Thomas R Furlani, Jing Kong, Vivian Cody, Faith B Davis, Paul J Davis

Open access · hybridAbstract read
In one paragraph

Article in Journal of biomedicine & biotechnology, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.

0numbers the graph read from it
0cells of the map it votes in
17citing papers in PubMed
1.5field-weighted citation impact, top 21% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

17 citing papers in PubMed, 37 citations in OpenAlex.

  1. Thyroid Hormone Action by Genomic and Nongenomic Molecular Mechanisms.Methods in molecular biology (Clifton, N.J.) · 2025
    Article
  2. Thyroid hormones, mitochondria, aging, and cancer.Frontiers in endocrinology · 2025
    Review
  3. Association between thyroid disorders and extra-thyroidal cancers, a review.Clinical & translational oncology : official publication of the Federation of Spanish Oncology Societies and of the National Cancer Institute of Mexico · 2024
    Review
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  16. Nongenomic actions of thyroid hormone.Nature reviews. Endocrinology · 2016
    Review
  17. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors at 4 institutions in 1 country.

Marek FreindorfCenter for Computational Research, State University of New York at Buffalo, Buffalo, NY 14260, USA.
Thomas R Furlani
Jing Kong
Vivian Cody
Faith B Davis
Paul J Davis
Albany College of Pharmacy and Health Sciences · USUniversity at Buffalo, State University of New York · USHauptman-Woodward Medical Research Institute · USQ Chem (United States) · US

Funding

Computing Infrastructure to Advance Biomedical ResearchS10RR028863 · NCRR · STATE UNIVERSITY OF NEW YORK AT BUFFALO · PI FURLANI, THOMAS · 2010 to 2010
$2.6M
Local Quantum Theory for Large Molecular SystemsR44GM065617 · NIGMS · Q-CHEM, INC. · PI KONG, JING · 2004 to 2005
$752k
New Numerical Solutions for Density Functional TheoryR44GM073408 · NIGMS · Q-CHEM, INC. · PI KONG, JING · 2006 to 2007
$658k
NCRR NIH HHS S10 RR028863NIGMS NIH HHS R44 GM065617NIGMS NIH HHS R44 GM073408NIGMS NIH HHS R44GM073408NIGMS NIH HHS R44GM65617
6 · The paper itself

Abstract

Recent biochemical studies have identified a cell surface receptor for thyroid and steroid hormones that bind near the arginine-glycine-aspartate (RGD) recognition site on the heterodimeric αvβ3 integrin. To further characterize the intermolecular interactions for a series of hormone analogues, combined quantum mechanical and molecular mechanical (QM/MM) methods were used to calculate their interaction energies. All calculations were performed in the presence of either calcium (Ca(2+)) or magnesium (Mg(2+)) ions. These data reveal that 3,5'-triiodothyronine (T(3)) and 3,5,3',5'-tetraiodothyroacetic acid (T(4)ac) bound in two different modes, occupying two alternate sites, one of which is along the Arg side chain of the RGD cyclic peptide site. These orientations differ from those of the other ligands whose alternate binding modes placed the ligands deeper within the RGD binding pocket. These observations are consistent with biological data that indicate the presence of two discrete binding sites that control distinct downstream signal transduction pathways for T(3).

Indexed as

Molecular Dynamics SimulationBinding SitesEstradiolHumansIntegrin alphaVbeta3OligopeptidesProtein BindingStatic ElectricityStilbenesThyroxinearginyl-glycyl-aspartic acidEstradiolIntegrin alphaVbeta3OligopeptidesStilbenesThyroxine

Identifiers

PMID22547930
PMCPMC3323866
OpenAlexW2022155678

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.