Non-canonical DNA structures: Comparative quantum mechanical study

被引：6

作者：

Bachurin, Stanislav S. ^{[1
]}

Kletskii, Mikhail E. ^{[2
]}

Burov, Oleg N. ^{[2
]}

Kuibatov, Sergey V. ^{[2
]}

机构：

[1] FSBEI HE Rostov State Med Univ, Minist Hlth Russian Federat, 29 Nakhichevansky St, Rostov Na Donu 344022, Russia

[2] Southern Fed Univ, Chem Fac, 7 Zorge St, Rostov Na Donu 344090, Russia

来源：

BIOPHYSICAL CHEMISTRY | 2018年 / 235卷

关键词：

Non-canonical DNA structure; G-quadruplex; Triplex; i-Motif; DFT calculations; I-MOTIF DNA; TRIPLE-HELIX FORMATION; G-QUADRUPLEX DNA; NUCLEIC-ACIDS; CROSS-LINKING; BASE-PAIRS; STABILITY; MOLECULES; PROMOTER; CYTOSINE;

D O I：

10.1016/j.bpc.2018.02.003

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A study of relative thermodynamic stability of non-canonical DNA structures (triplexes, G-quadruplexes, i-motifs) for the first time was conducted on the basis of quantum chemical DFT/B3LYP/6-31 + +G (d) calculations. Results of the calculations completely reproduce the experimental data on stability of G-quadruplexes comparatively Watson-Crick B-DNA. It was discovered that combinations of non-canonical DNA structures were energetically more favorable than separated nitrogenous bases. Supramolecular complexes of the non-canonical DNA structures (NSs) can be considered as a biological drug targets in gene regulation (for example in tumor therapy), in contrast to previous works, where NSs were studied independently.

引用

页码：19 / 28

页数：10

共 50 条

[21] Exploring potentially alternative non-canonical DNA duplex structures through simulation
Galindo-Murillo, Rodrigo
Cheatham, Thomas E., III
Hopkins, Robert C.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 37 (09): : 2201 - 2210
[22] Recognition of non-canonical DNA structures in genomic DNA sequences by p53 proteins
Navratilova, L.
Brazdova, M.
Tichy, V.
Fojta, M.
Lexa, M.
Kyjovsky, I.
Deppert, W.
Palecek, E.
FEBS JOURNAL, 2009, 276 : 113 - 113
[23] Naturally Occurring tRNAs With Non-canonical Structures
Krahn, Natalie
Fischer, Jonathan T.
Soll, Dieter
FRONTIERS IN MICROBIOLOGY, 2020, 11
[24] Non-Canonical ESCRT Structures and Functions.
Gu, M.
LaJoie, D.
Chen, O. S.
Ladinsky, M. S.
Redd, M. J.
Nikolova, L.
Bjorkman, P. J.
Sundquist, W. I.
Ullman, K. S.
Frost, A.
MOLECULAR BIOLOGY OF THE CELL, 2016, 27
[25] Synthesis and biological properties of small molecules - ligands of non-canonical DNA and RNA structures
Abramovich, Maxim S.
Zaikina, Polina V.
Barskaya, Elena S.
Beloglazkina, Elena K.
RUSSIAN CHEMICAL REVIEWS, 2024, 93 (09)
[26] A comparative kinetic study of non-canonical eukaryotic translation initiation with IRES structures by single molecule fluorescence microscopy
Barbier, N.
Bugaud, O.
Westbrook, N.
Namy, O.
Perronet, K.
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 2017, 46 : S131 - S131
[27] Selective Ligands for Non-Canonical DNA Structures: Do They Have a Future in Medicinal Chemistry?
Palumbo, Manlio
Sissi, Claudia
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2022, 23 (19)
[28] Circular RNAs: Non-Canonical Observations on Non-Canonical RNAs
Stringer, Brett W.
Gantley, Laura
Conn, Simon J.
CELLS, 2023, 12 (02)
[29] Non-canonical agreement is canonical
Polinsky, M
TRANSACTIONS OF THE PHILOLOGICAL SOCIETY, 2003, 101 (02) : 279 - 312
[30] Using lattice methods in non-canonical quantum statistics
Lukkarinen, J
NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS, 2000, 83-4 : 959 - 961

← 1 2 3 4 5 →