2hvx

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[[Image:2hvx.jpg|left|200px]]
[[Image:2hvx.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2hvx |SIZE=350|CAPTION= <scene name='initialview01'>2hvx</scene>, resolution 2.600&Aring;
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The line below this paragraph, containing "STRUCTURE_2hvx", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=DRX:[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC+ACID'>DRX</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Chymase Chymase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.39 3.4.21.39] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2hvx| PDB=2hvx | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2hvx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hvx OCA], [http://www.ebi.ac.uk/pdbsum/2hvx PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2hvx RCSB]</span>
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}}
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'''Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design'''
'''Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design'''
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[[Category: Wang, Y.]]
[[Category: Wang, Y.]]
[[Category: Wells, G I.]]
[[Category: Wells, G I.]]
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[[Category: serine protease]]
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[[Category: Serine protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:46:39 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:36:11 2008''
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Revision as of 03:46, 4 May 2008

Image:2hvx.jpg

Template:STRUCTURE 2hvx

Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design


Overview

A series of beta-carboxamido-phosphon(in)ic acids (2) was identified as a new structural motif for obtaining potent inhibitors of human mast cell chymase. For example, 1-naphthyl derivative 5f had an IC50 value of 29 nM and (E)-styryl derivative 6g had an IC50 value of 3.5 nM. An X-ray structure for 5f.chymase revealed key interactions within the enzyme active site. Compound 5f was selective for inhibiting chymase versus eight serine proteases. Compound 6h was orally bioavailable in rats (F=39%), and orally efficacious in a hamster model of inflammation.

About this Structure

2HVX is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase., Greco MN, Hawkins MJ, Powell ET, Almond HR Jr, de Garavilla L, Hall J, Minor LK, Wang Y, Corcoran TW, Di Cera E, Cantwell AM, Savvides SN, Damiano BP, Maryanoff BE, J Med Chem. 2007 Apr 19;50(8):1727-30. Epub 2007 Mar 16. PMID:17361995 Page seeded by OCA on Sun May 4 06:46:39 2008

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