6s15
From Proteopedia
(Difference between revisions)
| Line 1: | Line 1: | ||
==Pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder== | ==Pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder== | ||
| - | <StructureSection load='6s15' size='340' side='right'caption='[[6s15]]' scene=''> | + | <StructureSection load='6s15' size='340' side='right'caption='[[6s15]], [[Resolution|resolution]] 1.70Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6S15 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6S15 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[6s15]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6S15 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6S15 FirstGlance]. <br> |
| - | </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=6s15 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6s15 OCA], [https://pdbe.org/6s15 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6s15 RCSB], [https://www.ebi.ac.uk/pdbsum/6s15 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6s15 ProSAT]</span></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.7Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=KQT:Berberine'>KQT</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=6s15 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6s15 OCA], [https://pdbe.org/6s15 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6s15 RCSB], [https://www.ebi.ac.uk/pdbsum/6s15 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6s15 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Telomerase is an enzyme deputed to the maintenance of eukaryotic chromosomes; however, its overexpression is a recognized hallmark of many cancer forms. A viable route for the inhibition of telomerase in malignant cells is the stabilization of G-quadruplex structures (G(4)) at the 3' overhang of telomeres. Berberine has shown in this regard valuable G(4) binding properties together with a significant anticancer activity and telomerase inhibition effects. Here, we focused on a berberine derivative featuring a pyridine containing side group at the 13th position. Such modification actually improves the binding toward telomeric G-quadruplexes and establishes a degree of selectivity in the interaction with different sequences. Moreover, the X-ray crystal structure obtained for the complex formed by the ligand and a bimolecular human telomeric quadruplex affords a better understanding of the 13-berberine derivatives behavior with telomeric G(4) and allows to draw useful insights for the future design of derivatives with remarkable anticancer properties. | ||
| + | |||
| + | Pyridine Derivative of the Natural Alkaloid Berberine as Human Telomeric G(4)-DNA Binder: A Solution and Solid-State Study.,Papi F, Bazzicalupi C, Ferraroni M, Ciolli G, Lombardi P, Khan AY, Kumar GS, Gratteri P ACS Med Chem Lett. 2020 Feb 7;11(5):645-650. doi: 10.1021/acsmedchemlett.9b00516. , eCollection 2020 May 14. PMID:32435365<ref>PMID:32435365</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 6s15" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: | + | [[Category: Synthetic construct]] |
| + | [[Category: Bazzicalupi C]] | ||
| + | [[Category: Ferraroni M]] | ||
| + | [[Category: Gratteri P]] | ||
| + | [[Category: Papi F]] | ||
Current revision
Pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
| |||||||||||
