1b0e: Difference between revisions

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[[Image:1b0e.jpg|left|200px]]
{{Seed}}
[[Image:1b0e.png|left|200px]]


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{{STRUCTURE_1b0e|  PDB=1b0e  |  SCENE=  }}  
{{STRUCTURE_1b0e|  PDB=1b0e  |  SCENE=  }}  


'''CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE WITH MDL 101,146'''
===CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE WITH MDL 101,146===




==Overview==
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A series of P2-modified, orally active peptidic inhibitors of human neutrophil elastase (HNE) are reported. These pentafluoroethyl ketone-based inhibitors were designed using pentafluoroethyl ketone 1 as a model. Rational structural modifications were made at the P3, P2, and activating group (AG) portions of 1 based on structure-activity relationships (SAR) developed from in vitro (measured Ki) data and information provided by modeling studies that docked inhibitor 1 into the active site of HNE. The modeling-based design was corroborated with X-ray crystallographic analysis of the complex between 1 and porcine pancreatic elastase (PPE) and subsequently the complex between 1 and HNE.
The line below this paragraph, {{ABSTRACT_PUBMED_9651152}}, adds the Publication Abstract to the page
(as it appears on PubMed at http://www.pubmed.gov), where 9651152 is the PubMed ID number.
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{{ABSTRACT_PUBMED_9651152}}


==About this Structure==
==About this Structure==
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[[Category: Fluoroethyl ketone]]
[[Category: Fluoroethyl ketone]]
[[Category: Serine protease]]
[[Category: Serine protease]]
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