Unravelling the binding affinity and selectivity of molybdenum(<scp>ii</scp>) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands-Reference-Cited by-同舟云学术

Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands

Published:2022 Issue:42 Volume:24 Page:25918-25929
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ortiz de Luzuriaga Iker¹²^ORCID,Sánchez-González Ángel³,Synoradzki Wojciech³,Lopez Xabier²⁴^ORCID,Gil Adrià¹³⁵⁶^ORCID

Affiliation:

1. CIC-nanoGUNE BRTA, Tolosa Hiribidea 76, E-20018, Donostia – San Sebastián, Euskadi, Spain

2. Polímero eta Material Aurreratuak: Fisika, Kimika eta Teknologia, Kimika Fakultatea, Euskal Herriko Unibertsitatea, UPV/EHU, 20080, Donostia, Euskadi, Spain

3. BioISI – Biosystems and Integrative Sciences Institute, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016, Lisboa, Portugal

4. Donostia International Physics Center (DIPC), P. K. 1072, 20080, Donostia, Euskadi, Spain

5. ARAID Foundation, Zaragoza, Spain

6. Departamento de Química Inorgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH) – Consejo Superior de Investigaciones Científicas (CSIC). Universidad de Zaragoza, c/Pedro Cerbuna 12, 50009, Zaragoza, Spain

Abstract

[Mo(η3-C3H5)Br(CO)2(phen)] Ax isomer interacting through of end-stacking could be selective for G-quadruplexes since a better affinity for this non-canonical DNA structure than for duplex DNA was observed when comparing interaction energies.

Funder

Fundação para a Ciência e a Tecnologia

Ministerio de Economía y Competitividad

Fundación Agencia Aragonesa para la Investigación y el Desarrollo

Eusko Jaurlaritza

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02241A

Reference87 articles.