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== | ==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=''> | <StructureSection load='3rf5' size='340' side='right' caption='[[3rf5]], [[Resolution|resolution]] 2.10Å' scene=''> | ||
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</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> | </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='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> | <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://pdbe.org/3rf5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3rf5 RCSB], [http://www.ebi.ac.uk/pdbsum/3rf5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3rf5 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 3rf5" style="background-color:#fffaf0;"></div> | |||
==See Also== | ==See Also== | ||
Revision as of 14:32, 10 December 2016
Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamideAncylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide
Structural highlights
Publication Abstract from PubMedThe 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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