Literature DB >> 16536534

G-quadruplexes can maintain their structure in the gas phase.

Manuel Rueda1, F Javier Luque, Modesto Orozco.   

Abstract

Several very extended (0.5-1 micros) molecular dynamics (MD) simulations of parallel and antiparallel G-quadruplex DNA strongly suggest that in the presence of suitable cations the quadruplex not only remains stable in the gas phase, but also displays a structure that closely resembles that found in extended (25-ns long) trajectories in aqueous solution. In the absence of the crucial cations, the trajectories become unstable and in general the quadruplex structure is lost. To our knowledge, this is the first physiologically relevant structure of DNA for which very large MD simulations suggest that the structure in water and in the gas phase are indistinguishable.

Entities:  

Mesh:

Substances:

Year:  2006        PMID: 16536534     DOI: 10.1021/ja055936s

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  21 in total

1.  Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers.

Authors:  Alberto Pérez; Iván Marchán; Daniel Svozil; Jiri Sponer; Thomas E Cheatham; Charles A Laughton; Modesto Orozco
Journal:  Biophys J       Date:  2007-03-09       Impact factor: 4.033

2.  Investigation of formation, recognition, stabilization, and conversion of dimeric G-quadruplexes of HIV-1 integrase inhibitors by electrospray ionization mass spectrometry.

Authors:  Huihui Li; Gu Yuan; Daming Du
Journal:  J Am Soc Mass Spectrom       Date:  2008-02-05       Impact factor: 3.109

3.  Gas-phase stability of G-quadruplex DNA determined by electrospray ionization tandem mass spectrometry and molecular dynamics simulations.

Authors:  Carolyn L Mazzitelli; Junmei Wang; Suncerae I Smith; Jennifer S Brodbelt
Journal:  J Am Soc Mass Spectrom       Date:  2007-07-17       Impact factor: 3.109

4.  Ion mobility spectrometry reveals duplex DNA dissociation intermediates.

Authors:  Anastasia Burmistrova; Valérie Gabelica; Anne-Sophie Duwez; Edwin De Pauw
Journal:  J Am Soc Mass Spectrom       Date:  2013-09-06       Impact factor: 3.109

5.  The 3D structures of G-quadruplexes of HIV-1 integrase inhibitors: molecular dynamics simulations in aqueous solution and in the gas phase.

Authors:  Ming-Hui Li; Yi-Han Zhou; Quan Luo; Ze-Sheng Li
Journal:  J Mol Model       Date:  2009-10-04       Impact factor: 1.810

6.  Gas-phase hydration thermochemistry of sodiated and potassiated nucleic acid bases.

Authors:  Henryk Wincel
Journal:  J Am Soc Mass Spectrom       Date:  2012-07-21       Impact factor: 3.109

7.  Modular calibrant sets for the structural analysis of nucleic acids by ion mobility spectrometry mass spectrometry.

Authors:  Jennifer L Lippens; Srivathsan V Ranganathan; Rebecca J D'Esposito; Daniele Fabris
Journal:  Analyst       Date:  2016-06-20       Impact factor: 4.616

8.  Relative stability of different DNA guanine quadruplex stem topologies derived using large-scale quantum-chemical computations.

Authors:  Jiří Šponer; Arnošt Mládek; Naďa Špačková; Xiaohui Cang; Thomas E Cheatham; Stefan Grimme
Journal:  J Am Chem Soc       Date:  2013-06-19       Impact factor: 15.419

9.  Mass spectrometric studies on effects of counter ions of TMPyP4 on binding to human telomeric DNA and RNA G-quadruplexes.

Authors:  Li-Ping Bai; Jie Liu; Li Han; Hing-Man Ho; Renxiao Wang; Zhi-Hong Jiang
Journal:  Anal Bioanal Chem       Date:  2014-06-18       Impact factor: 4.142

10.  Refinement of Generalized Born Implicit Solvation Parameters for Nucleic Acids and Their Complexes with Proteins.

Authors:  Hai Nguyen; Alberto Pérez; Sherry Bermeo; Carlos Simmerling
Journal:  J Chem Theory Comput       Date:  2015-08-11       Impact factor: 6.006

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.