Role of electrostatic interactions in determining the G-quadruplex structures

被引：1

作者：

Lee, Jinkeong ^{[1
]}

Im, Haeri ^{[1
]}

Chong, Song-Ho ^{[1
]}

Ham, Sihyun ^{[1
]}

机构：

[1] Sookmyung Womens Univ, Dept Chem, Cheongpa Ro 47 Gil 100, Seoul 04310, South Korea

来源：

CHEMICAL PHYSICS LETTERS | 2018年 / 693卷

关键词：

DNA; Conformational energy; Solvation free energy; Molecular dynamics simulation; Integral-equation theory; TELOMERIC G-QUADRUPLEX; K+ SOLUTION; DNA; THERMODYNAMICS; POLYMORPHISM; SEQUENCE;

D O I：

10.1016/j.cplett.2017.11.053

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We investigate the energetics of the antiparallel, hybrid and parallel type G-quadruplex structures of the human telomere DNA sequence. We find that both the conformational energy and solvation free energy of these structures are roughly inversely proportional to their radii of gyration. We rationalize this finding in terms of the dominance of the electrostatic contributions. We also show that the solvation free energy is more significant than the conformational energy in determining the G-quadruplex structures, which is in contrast to the canonical B-DNA structures. Our work will contribute to an understanding of the molecular mechanisms dictating various G-quadruplex topologies. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：216 / 221

页数：6

共 50 条

[1] Selective interactions of cationic porphyrins with G-quadruplex structures
Han, H.
Langley, D.R.
Rangan, A.
Hurley, L.H.
1600, American Chemical Society (123):
[2] Selective interactions of cationic porphyrins with G-quadruplex structures
Han, HY
Langley, DR
Rangan, A
Hurley, LH
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (37) : 8902 - 8913
[3] Overview of G-quadruplexes, their biological role, and G-quadruplex structures
Yang, Danzhou
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
[4] Interactions of daidzin with intramolecular G-quadruplex
Li, Wei
Zhang, Ming
Zhang, Jin-li
Li, Hui-qing
Zhang, Xiao-chen
Sun, Qian
Qiu, Chun-mei
FEBS LETTERS, 2006, 580 (20) : 4905 - 4910
[5] Experimental Methods for Studying the Interactions between G-Quadruplex Structures and Ligands
Jaumot, Joaquim
Gargallo, Raimundo
CURRENT PHARMACEUTICAL DESIGN, 2012, 18 (14) : 1900 - 1916
[6] A topological classification of G-quadruplex structures
Esposito, V.
Galleone, A.
Mayol, L.
Oliviero, G.
Virgilio, A.
Randazzo, L.
NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS, 2007, 26 (8-9): : 1155 - 1159
[7] Stability and kinetics of G-quadruplex structures
Lane, Andrew N.
Chaires, J. Brad
Gray, Robert D.
Trent, John O.
NUCLEIC ACIDS RESEARCH, 2008, 36 (17) : 5482 - 5515
[8] Relevance of G-quadruplex structures to pharmacogenetics
Cree, Simone L.
Kennedy, Martin A.
FRONTIERS IN PHARMACOLOGY, 2014, 5
[9] Mapping DNA G-quadruplex structures
Eytan Zlotorynski
Nature Reviews Molecular Cell Biology, 2015, 16 (9) : 518 - 518
[10] Hydrodynamic Models of G-Quadruplex Structures
Chaires, Jonathan B.
Dean, William L.
Le, Huy T.
Trent, John O.
ANALYTICAL ULTRACENTRIFUGATION, 2015, 562 : 287 - 304

← 1 2 3 4 5 →