Modelling the possible bioactivity of ellagitannin-derived metabolites. In silico tools to evaluate their potential xenoestrogenic behavior (Q44344278)

2 December 2017

Modelling the possible bioactivity of ellagitannin-derived metabolites. In silico tools to evaluate their potential xenoestrogenic behavior (English)

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2 December 2017

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Pietro Cozzini

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1 October 2013

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1442-1451

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Endocrine disrupting chemicals targeting estrogen receptor signaling: identification and mechanisms of action

2 December 2017

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

International Union of Pharmacology. LXIV. Estrogen receptors

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Estrogen action in neuroprotection and brain inflammation.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Oestrogenic mycotoxin exposures and precocious pubertal development

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

The dynamic structure of the estrogen receptor

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Endocrine disrupting effects of zearalenone, alpha- and beta-zearalenol at the level of nuclear receptor binding and steroidogenesis

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Identification of xenoestrogens in food additives by an integrated in silico and in vitro approach

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Phytoestrogens: a review of the present state of research

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Influence of berry polyphenols on receptor signaling and cell-death pathways: implications for breast cancer prevention

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Ellagitannins, ellagic acid and vascular health.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Metabolism of antioxidant and chemopreventive ellagitannins from strawberries, raspberries, walnuts, and oak-aged wine in humans: identification of biomarkers and individual variability

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Evaluation of estrogenic/antiestrogenic activity of ellagic acid via the estrogen receptor subtypes ERalpha and ERbeta.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Gene expression, cell cycle arrest and MAPK signalling regulation in Caco-2 cells exposed to ellagic acid and its metabolites, urolithins.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Urolithins, ellagic acid-derived metabolites produced by human colonic microflora, exhibit estrogenic and antiestrogenic activities

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

UV and MS identification of Urolithins and Nasutins, the bioavailable metabolites of ellagitannins and ellagic acid in different mammals.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Molecular basis of agonism and antagonism in the oestrogen receptor

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Very empirical treatment of solvation and entropy: a force field derived from log Po/w

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Getting it right: modeling of pH, solvent and "nearly" everything else in virtual screening of biological targets

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Hydrophobicity--shake flasks, protein folding and drug discovery

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 2. Computational titration and pH effects in molecular models of neuraminidase-inhibitor complexes

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Simple, Intuitive Calculations of Free Energy of Binding for Protein−Ligand Complexes. 3. The Free Energy Contribution of Structural Water Molecules in HIV-1 Protease Complexes

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Energy-based prediction of amino acid-nucleotide base recognition

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

In silico approach to evaluate molecular interaction between mycotoxins and the estrogen receptors ligand binding domain: a case study on zearalenone and its metabolites

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Mechanisms of action and cross-talk between estrogen receptor and progesterone receptor pathways

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Estrogen receptors and human disease: an update

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

The coactivator LXXLL nuclear receptor recognition motif.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Crystallographic comparison of the estrogen and progesterone receptor's ligand binding domains

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

The gut microbiota ellagic acid-derived metabolite urolithin A and its sulfate conjugate are substrates for the drug efflux transporter breast cancer resistance protein (ABCG2/BCRP).

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

The 2010 Philip S. Portoghese Medicinal Chemistry Lectureship: addressing the "core issue" in the design of estrogen receptor ligands

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Heterologous expression of Arabidopsis UDP-glucosyltransferases in Saccharomyces cerevisiae for production of zearalenone-4-O-glucoside.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Synthesis and estrogenic activity of bisphenol A mono‐ and di‐β‐D‐glucopyranosides, plant metabolites of bisphenol A

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Estrogenic/antiestrogenic activities of a Epimedium koreanum extract and its major components: in vitro and in vivo studies

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Strawberry processing does not affect the production and urinary excretion of urolithins, ellagic acid metabolites, in humans.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Coupling of receptor conformation and ligand orientation determine graded activity

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Understanding the selectivity of genistein for human estrogen receptor-beta using X-ray crystallography and computational methods

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Structure of the ligand-binding domain of oestrogen receptor beta in the presence of a partial agonist and a full antagonist

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Tripartite steroid hormone receptor pharmacology: interaction with multiple effector sites as a basis for the cell- and promoter-specific action of these hormones

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Comparative assessment of scoring functions on a diverse test set.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Comparative evaluation of 3D virtual ligand screening methods: impact of the molecular alignment on enrichment.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

The consequences of scoring docked ligand conformations using free energy correlations.

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

Ellagitannin metabolites, urolithin A glucuronide and its aglycone urolithin A, ameliorate TNF-α-induced inflammation and associated molecular markers in human aortic endothelial cells

21 January 2018

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https://api.crossref.org/works/10.1039%2FC3FO60117J

21 January 2018

Identifiers

DOI

10.1039/C3FO60117J

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2 December 2017

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PubMed ID

23955176