6fc9: Difference between revisions
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The | ==The 1,8-bis(aminomethyl)anthracene and Quadruplex-duplex junction complex== | ||
<StructureSection load='6fc9' size='340' side='right'caption='[[6fc9]]' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[6fc9]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6FC9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6FC9 FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D5B:[8-(azaniumylmethyl)anthracen-1-yl]methylazanium'>D5B</scene></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6fc9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6fc9 OCA], [https://pdbe.org/6fc9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6fc9 RCSB], [https://www.ebi.ac.uk/pdbsum/6fc9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6fc9 ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Targeting the interface between DNA quadruplex and duplex regions by small molecules holds significant promise in both therapeutics and nanotechnology. Herein, a new pharmacophore is reported, which selectively binds with high affinity to quadruplex-duplex junctions, while presenting a poorer affinity for G-quadruplex or duplex DNA alone. Ligands complying with the reported pharmacophore exhibit a significant affinity and selectivity for quadruplex-duplex junctions, including the one observed in the HIV-1 LTR-III sequence. The structure of the complex between a quadruplex-duplex junction with a ligand of this family has been determined by NMR methods. According to these data, the remarkable selectivity of this structural motif for quadruplex-duplex junctions is achieved through an unprecedented interaction mode so far unexploited in medicinal and biological chemistry: the insertion of a benzylic ammonium moiety into the centre of the partially exposed G-tetrad at the interface with the duplex. Further decoration of the described scaffolds with additional fragments opens up the road to the development of selective ligands for G-quadruplex-forming regions of the genome. | |||
De Novo Design of Selective Quadruplex-Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot-Spot.,Diaz-Casado L, Serrano-Chacon I, Montalvillo-Jimenez L, Corzana F, Bastida A, Santana AG, Gonzalez C, Asensio JL Chemistry. 2020 Dec 25. doi: 10.1002/chem.202005026. PMID:33368678<ref>PMID:33368678</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 6fc9" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Synthetic construct]] | |||
[[Category: Asensio JL]] | |||
[[Category: Bastida A]] | |||
[[Category: Corzana F]] | |||
[[Category: Gonzalez C]] | |||
[[Category: Jimenez-Barbero J]] | |||
[[Category: Montalvillo-Jimenez L]] | |||
[[Category: Santana A]] | |||
[[Category: Serrano I]] | |||
Latest revision as of 06:04, 19 June 2024
The 1,8-bis(aminomethyl)anthracene and Quadruplex-duplex junction complex
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