Computationally enhanced X-ray diffraction analysis of a gold(III) complex interacting with the human telomeric DNA G-quadruplex. Unravelling non-unique ligand positioning.

DNA / chemistry G-Quadruplexes Gold / chemistry Humans Ligands Telomere Triazines X-Ray Diffraction
DNA G-quadruplex Gold complexes Melting experiments QM/MM Quantum refinement X-ray diffraction

Journal

International journal of biological macromolecules
ISSN: 1879-0003
Titre abrégé: Int J Biol Macromol
Pays: Netherlands
ID NLM: 7909578

Informations de publication

Date de publication:
30 Jun 2022
Historique:
received: 02 03 2022
revised: 14 04 2022
accepted: 04 05 2022
pubmed: 14 5 2022
medline: 9 6 2022
entrez: 13 5 2022
Statut: ppublish

Résumé

The crystal structure of the human telomeric DNA Tel24 G-quadruplex (Tel24 = TAG

Identifiants

DOI: 10.1016/j.ijbiomac.2022.05.033 PMID: 35561865
pubmed: 35561865
pii: S0141-8130(22)00988-6
doi: 10.1016/j.ijbiomac.2022.05.033
pii:
doi:

Substances chimiques

Ligands 0
Triazines 0
Gold 7440-57-5
DNA 9007-49-2

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

506-513

Informations de copyright

Copyright © 2022. Published by Elsevier B.V.

Auteurs

Damiano Cirri (D)

Department of Chemistry and Industrial Chemistry, University of Pisa, Via G. Moruzzi 13, 56124 Pisa, Italy.

Carla Bazzicalupi (C)

Department of Chemistry "Ugo Schiff", University of Florence, Via della Lastruccia 3-13, 50019 Sesto Fiorentino, Italy. Electronic address: carla.bazzicalupi@unifi.it.

Ulf Ryde (U)

Division of Theoretical Chemistry, Lund University, Chemical Centre, P. O. Box 124, SE-221 00 Lund, Sweden. Electronic address: ulf.ryde@teokem.lu.se.

Justin Bergmann (J)

Division of Theoretical Chemistry, Lund University, Chemical Centre, P. O. Box 124, SE-221 00 Lund, Sweden.

Francesca Binacchi (F)

Department of Chemistry and Industrial Chemistry, University of Pisa, Via G. Moruzzi 13, 56124 Pisa, Italy.

Alessio Nocentini (A)

Department NEUROFARBA - Pharmaceutical and Nutraceutical Section and Laboratory of Molecular Modeling Cheminformatics & QSAR, University of Florence, Via U. Schiff 6, 50019, Sesto Fiorentino, Florence, Italy.

Alessandro Pratesi (A)

Department of Chemistry and Industrial Chemistry, University of Pisa, Via G. Moruzzi 13, 56124 Pisa, Italy.

Paola Gratteri (P)

Department NEUROFARBA - Pharmaceutical and Nutraceutical Section and Laboratory of Molecular Modeling Cheminformatics & QSAR, University of Florence, Via U. Schiff 6, 50019, Sesto Fiorentino, Florence, Italy. Electronic address: paola.gratteri@unifi.it.

Luigi Messori (L)

Department of Chemistry "Ugo Schiff", University of Florence, Via della Lastruccia 3-13, 50019 Sesto Fiorentino, Italy.

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Classifications MeSH

questionsmedicales.fr › Acides nucléiques, nucléotides et nucléosides › Acides nucléiques › ADN › Computationally enhanced X-ray diffraction...
questionsmedicales.fr › Phénomènes génétiques › Structures génétiques › Conformation d'acide nucléique › G-quadruplexes › Computationally enhanced X-ray diffraction...
questionsmedicales.fr › Produits chimiques inorganiques › Métaux › Métaux lourds › Or › Computationally enhanced X-ray diffraction...
questionsmedicales.fr › Eucaryotes › Animaux › Chordés › Vertébrés › Mammifères › Eutheria › Primates › Haplorhini › Catarrhini › Hominidae › Humains › Computationally enhanced X-ray diffraction...
questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Produits chimiques de laboratoire › Ligands › Computationally enhanced X-ray diffraction...
questionsmedicales.fr › Phénomènes génétiques › Structures génétiques › Structures de chromosome › Télomère › Computationally enhanced X-ray diffraction...
questionsmedicales.fr › Composés hétérocycliques › Composés hétéromonocycliques › Triazines › Computationally enhanced X-ray diffraction...
questionsmedicales.fr › Phénomènes chimiques › Diffraction des rayons X › Computationally enhanced X-ray diffraction...