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Loop flexibility in human telomeric quadruplex small-molecule complexes.

Collie GW, Campbell NH, Neidle S - Nucleic Acids Res. (2015)

Bottom Line: Sugar conformation and backbone angles have also been examined and trends highlighted.One particular loop class has been found to be most prevalent.Implications for in particular, rational drug design, are discussed.

View Article: PubMed Central - PubMed

Affiliation: UCL School of Pharmacy, University College London, 29-39 Brunswick Square, London WC1N 1AX, UK.

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(A) View of the human telomeric quadruplex native and ligand complex crystal structures, with nucleic acids drawn in stick form and ligands in surface representation. Metal ions (potassiums) are shown as purple spheres. Individual loops are highlighted with sticks in single colours. The colour coding corresponds to the more detailed view of each loop type shown in Figure 2. (B) Structures of individual ligands, shown with the PDB IDs for the structures in which they occur.
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Figure 1: (A) View of the human telomeric quadruplex native and ligand complex crystal structures, with nucleic acids drawn in stick form and ligands in surface representation. Metal ions (potassiums) are shown as purple spheres. Individual loops are highlighted with sticks in single colours. The colour coding corresponds to the more detailed view of each loop type shown in Figure 2. (B) Structures of individual ligands, shown with the PDB IDs for the structures in which they occur.

Mentions: The overwhelming majority of quadruplex-binding small molecules reported to date possess planar groupings and their mode of binding predominantly involves 3′ or 5′ end-stacking onto terminal G-quartets (Figure 1). Intercalative binding has not been observed experimentally for these ligands and is widely considered not to be consistent with biophysical data on quadruplex-small molecule complexes (11–13). A small number of quadruplex-binding ligands, mostly based on a polyamide motif, have been proposed to bind in quadruplex grooves rather than on G-quartet surfaces. There is no detailed experimental structural information on their interaction with human telomeric bimolecular or unimolecular quadruplexes and so groove-binding structures will not be considered any further here.


Loop flexibility in human telomeric quadruplex small-molecule complexes.

Collie GW, Campbell NH, Neidle S - Nucleic Acids Res. (2015)

(A) View of the human telomeric quadruplex native and ligand complex crystal structures, with nucleic acids drawn in stick form and ligands in surface representation. Metal ions (potassiums) are shown as purple spheres. Individual loops are highlighted with sticks in single colours. The colour coding corresponds to the more detailed view of each loop type shown in Figure 2. (B) Structures of individual ligands, shown with the PDB IDs for the structures in which they occur.
© Copyright Policy - creative-commons
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4446451&req=5

Figure 1: (A) View of the human telomeric quadruplex native and ligand complex crystal structures, with nucleic acids drawn in stick form and ligands in surface representation. Metal ions (potassiums) are shown as purple spheres. Individual loops are highlighted with sticks in single colours. The colour coding corresponds to the more detailed view of each loop type shown in Figure 2. (B) Structures of individual ligands, shown with the PDB IDs for the structures in which they occur.
Mentions: The overwhelming majority of quadruplex-binding small molecules reported to date possess planar groupings and their mode of binding predominantly involves 3′ or 5′ end-stacking onto terminal G-quartets (Figure 1). Intercalative binding has not been observed experimentally for these ligands and is widely considered not to be consistent with biophysical data on quadruplex-small molecule complexes (11–13). A small number of quadruplex-binding ligands, mostly based on a polyamide motif, have been proposed to bind in quadruplex grooves rather than on G-quartet surfaces. There is no detailed experimental structural information on their interaction with human telomeric bimolecular or unimolecular quadruplexes and so groove-binding structures will not be considered any further here.

Bottom Line: Sugar conformation and backbone angles have also been examined and trends highlighted.One particular loop class has been found to be most prevalent.Implications for in particular, rational drug design, are discussed.

View Article: PubMed Central - PubMed

Affiliation: UCL School of Pharmacy, University College London, 29-39 Brunswick Square, London WC1N 1AX, UK.

Show MeSH
Related in: MedlinePlus