7kqd
From Proteopedia
(Difference between revisions)
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==Prefusion RSV F Bound to RV521== | ==Prefusion RSV F Bound to RV521== | ||
| - | <StructureSection load='7kqd' size='340' side='right'caption='[[7kqd]]' scene=''> | + | <StructureSection load='7kqd' size='340' side='right'caption='[[7kqd]], [[Resolution|resolution]] 2.94Å' 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=7KQD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7KQD FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7kqd]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Respiratory_syncytial_virus Respiratory syncytial virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7KQD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7KQD 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=7kqd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kqd OCA], [https://pdbe.org/7kqd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7kqd RCSB], [https://www.ebi.ac.uk/pdbsum/7kqd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7kqd ProSAT]</span></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=WVA:1-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6-fluorospiro[cyclopropane-1,3-indol]-2(1H)-one'>WVA</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=7kqd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7kqd OCA], [https://pdbe.org/7kqd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7kqd RCSB], [https://www.ebi.ac.uk/pdbsum/7kqd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7kqd ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | RV521 is an orally bioavailable inhibitor of respiratory syncytial virus (RSV) fusion that was identified after a lead optimization process based upon hits that originated from a physical property directed hit profiling exercise at Reviral. This exercise encompassed collaborations with a number of contract organizations with collaborative medicinal chemistry and virology during the optimization phase in addition to those utilized as the compound proceeded through preclinical and clinical evaluation. RV521 exhibited a mean IC50 of 1.2 nM against a panel of RSV A and B laboratory strains and clinical isolates with antiviral efficacy in the Balb/C mouse model of RSV infection. Oral bioavailability in preclinical species ranged from 42 to >100% with evidence of highly efficient penetration into lung tissue. In healthy adult human volunteers experimentally infected with RSV, a potent antiviral effect was observed with a significant reduction in viral load and symptoms compared to placebo. | ||
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| + | Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion.,Cockerill GS, Angell RM, Bedernjak A, Chuckowree I, Fraser I, Gascon-Simorte J, Gilman MSA, Good JAD, Harland R, Johnson SM, Ludes-Meyers JH, Littler E, Lumley J, Lunn G, Mathews N, McLellan JS, Paradowski M, Peeples ME, Scott C, Tait D, Taylor G, Thom M, Thomas E, Villalonga Barber C, Ward SE, Watterson D, Williams G, Young P, Powell K J Med Chem. 2021 Apr 8;64(7):3658-3676. doi: 10.1021/acs.jmedchem.0c01882. Epub, 2021 Mar 17. PMID:33729773<ref>PMID:33729773</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7kqd" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: McLellan | + | [[Category: Respiratory syncytial virus]] |
| + | [[Category: McLellan, J S]] | ||
| + | [[Category: Ds-cav1]] | ||
| + | [[Category: Inhibitor]] | ||
| + | [[Category: Rsv f]] | ||
| + | [[Category: Viral protein]] | ||
Revision as of 14:12, 17 November 2021
Prefusion RSV F Bound to RV521
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