Haider, S;
(2018)
Computational Methods to Study G-Quadruplex-Ligand Complexes.
Journal of the Indian Institute of Science
, 98
(3)
pp. 325-339.
10.1007/s41745-018-0083-3.
Preview |
Text
Haider2018_Article_ComputationalMethodsToStudyG-Q.pdf - Published Version Download (760kB) | Preview |
Abstract
Quadruplexes are four-stranded DNA or RNA structures formed from tandem repeats of guanine-rich sequences. They are present throughout the genome, namely at telomeres, in promoter and untranslated regions of important genes. Quadruplexes are thermodynamically stable structures and once formed can be a hindrance to cellular processes like transcription, translation, replication among others. Based on these findings, it has been proposed that small molecules can be used to selectively bind and stabilise quadruplexes. In this review, we explore computational methods that can be used to study quadruplex–ligand interactions. These methods not only provide interpretation of experimental data but also generate information that cannot be accessed by experimental methods.
| Type: | Article |
|---|---|
| Title: | Computational Methods to Study G-Quadruplex-Ligand Complexes |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1007/s41745-018-0083-3 |
| Publisher version: | https://doi.org/10.1007/s41745-018-0083-3 |
| Language: | English |
| Additional information: | This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/ licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. |
| Keywords: | Science & Technology, Multidisciplinary Sciences, Science & Technology - Other Topics, TELOMERIC G-QUADRUPLEX, DNA G-QUADRUPLEX, MOLECULAR-DYNAMICS SIMULATIONS, AMBER FORCE-FIELD, RANGE ELECTROSTATIC INTERACTIONS, MICROSECOND TIME-SCALE, STRUCTURE-BASED DESIGN, DRUG DISCOVERY, CRYSTAL-STRUCTURE, CATION-BINDING |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy > Pharma and Bio Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10056050 |
Archive Staff Only
 |
View Item |
