3rf5: Difference between revisions
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[[ | ==Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide== | ||
<StructureSection load='3rf5' size='340' side='right' caption='[[3rf5]], [[Resolution|resolution]] 2.10Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[3rf5]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Ancylostoma_ceylanicum Ancylostoma ceylanicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RF5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RF5 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FUZ:2-[(FURAN-2-YLMETHYL)AMINO]BENZOIC+ACID'>FUZ</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3rf4|3rf4]], [[2os5|2os5]]</td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3rf5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rf5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rf5 RCSB], [http://www.ebi.ac.uk/pdbsum/3rf5 PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The screening of bioactive compound libraries can be an effective approach for repositioning FDA-approved drugs or discovering new pharmacophores. Hookworms are blood-feeding, intestinal nematode parasites that infect up to 600 million people worldwide. Vaccination with recombinant Ancylostoma ceylanicum macrophage migration inhibitory factor (rAceMIF) provided partial protection from disease, thus establishing a "proof-of-concept" for targeting AceMIF to prevent or treat infection. A high-throughput screen (HTS) against rAceMIF identified six AceMIF-specific inhibitors. A nonsteroidal anti-inflammatory drug (NSAID), sodium meclofenamate, could be tested in an animal model to assess the therapeutic efficacy in treating hookworm disease. Furosemide, an FDA-approved diuretic, exhibited submicromolar inhibition of rAceMIF tautomerase activity. Structure-activity relationships of a pharmacophore based on furosemide included one analog that binds similarly to the active site, yet does not inhibit the Na-K-Cl symporter (NKCC1) responsible for diuretic activity. | |||
Drug Repositioning and Pharmacophore Identification in the Discovery of Hookworm MIF Inhibitors.,Cho Y, Vermeire JJ, Merkel JS, Leng L, Du X, Bucala R, Cappello M, Lolis E Chem Biol. 2011 Sep 23;18(9):1089-101. PMID:21944748<ref>PMID:21944748</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
==See Also== | |||
*[[Macrophage inhibitory factor|Macrophage inhibitory factor]] | |||
== | == References == | ||
[[ | <references/> | ||
__TOC__ | |||
== | </StructureSection> | ||
< | |||
[[Category: Ancylostoma ceylanicum]] | [[Category: Ancylostoma ceylanicum]] | ||
[[Category: Cho, Y | [[Category: Cho, Y]] | ||
[[Category: Lolis, E | [[Category: Lolis, E]] | ||
[[Category: Isomerase]] | [[Category: Isomerase]] | ||
[[Category: Isomerase-isomerase inhibitor complex]] | [[Category: Isomerase-isomerase inhibitor complex]] | ||
[[Category: Protein-small molecule complex]] | [[Category: Protein-small molecule complex]] | ||
Revision as of 12:18, 9 December 2014
Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide
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