From groove binding to intercalation: unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA-Reference-Cited by-同舟云学术

From groove binding to intercalation: unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA

Published:2021 Issue:47 Volume:23 Page:26680-26695
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sánchez-González Ángel¹,Castro Tarsila G.²,Melle-Franco Manuel³,Gil Adrià¹⁴^ORCID

Affiliation:

1. Centro de Química e Bioquímica and BioISI – Biosystems and Integrative Sciences Institute, Faculdade de Ciências, Universidade de Lisboa, Campo Grande 1749-016, Lisboa, Portugal

2. Centre of Biological Engineering, University of Minho, Campus de Gualtar, 4710-057, Braga, Portugal

3. CICECO-Aveiro Institute of Materials, Department of Chemistry, University of Aveiro, 3810-193 Aveiro, Portugal

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

Abstract

Substitution in number and position may modulate the interaction of ligands with DNA. Depending on the weak interactions produced by substitution and solvent effects the transition from groove binding to intercalation may be easy or difficult.

Funder

Fundação para a Ciência e a Tecnologia

Diputación Foral de Gipuzkoa

Ministerio de Economía, Industria y Competitividad, Gobierno de España

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP04529F

Reference110 articles.

1. Atomistic-Level Portrayal of Drug-DNA Interplay: A History of Courtships and Meetings Revealed by Molecular Simulations