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Istituto di scienza dell'alimentazione

Torna all'elenco Contributi in rivista anno 2011

Contributo in rivista

Tipo: Articolo in rivista

Titolo: Human aryl-hydrocarbon receptor and its interaction with dioxin and physiological ligands investigated by molecular modelling and docking simulations.

Anno di pubblicazione: 2011

Formato: Elettronico Cartaceo

Autori: Salzano M, Marabotti A, Milanesi L, Facchiano A.

Affiliazioni autori: Maria Salzano (ISA-CNR), Anna Marabotti (ITB-CNR), Luciano Milanesi (ITB-CNR), Angelo Facchiano (ISA-CNR)

Autori CNR:

  • ANGELO FACCHIANO
  • ANNA MARABOTTI
  • LUCIANO MILANESI
  • MARIA SALZANO

Lingua: inglese

Abstract: Molecular structure of the ligand binding domain of hAhR has been modelled by homology modelling techniques and used for docking simulations with dioxin and nine more xenobiotics and endogenous ligands. The study evidences that different sites may bind these ligands, whereas only one binding site has been previously indicated by past studies on the mouse homologous receptor. The differences in the sequence of mouse and human AhR ligand binding domain may explain this observation, being most of them in the additional sites observed. Preferences of the evaluated ligands for the different sites are reported and discussed in view of their functional role.

Lingua abstract: inglese

Pagine da: 176

Pagine a: 181

Pagine totali: 5

Rivista:

Biochemical and biophysical research communications Elsevier [etc.]
Paese di pubblicazione: Stati Uniti d'America
Lingua: inglese
ISSN: 0006-291X

Numero volume: 413

DOI: 10.1016/j.bbrc.2011.08.039

Referee: Sė: Internazionale

Indicizzato da: PubMed [PMID: 21871440]

Parole chiave:

  • Aryl-hydrocarbon receptor
  • Dioxin
  • Xenobiotics
  • Docking simulations

Strutture CNR:

Moduli:

Allegati: Human aryl-hydrocarbon receptor and its interaction with dioxin and physiological ligands investigated by molecular modelling and docking simulations. (application/pdf)

 
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