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rdf:type |
|
|
lifeskim:mentions |
|
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pubmed:issue |
5
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pubmed:dateCreated |
2005-3-22
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pubmed:abstractText |
A homology model of the active site region of tripeptidyl peptidase II (TPP II) was constructed based on the crystal structures of four subtilisin-like templates. The resulting model was subsequently validated by judging expectations of the model versus observed activities for a broad set of prepared TPP II inhibitors. The structure-activity relationships observed for the prepared TPP II inhibitors correlated nicely with the structural details of the TPP II active site model, supporting the validity of this model and its usefulness for structure-based drug design and pharmacophore searching experiments.
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pubmed:language |
eng
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pubmed:journal |
|
|
pubmed:citationSubset |
IM
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pubmed:chemical |
|
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pubmed:status |
MEDLINE
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pubmed:month |
Apr
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pubmed:issn |
1093-3263
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pubmed:author |
|
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pubmed:issnType |
Print
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pubmed:volume |
23
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pubmed:owner |
NLM
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|
pubmed:authorsComplete |
Y
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pubmed:pagination |
409-18
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pubmed:dateRevised |
2009-11-19
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pubmed:meshHeading |
pubmed-meshheading:15781183-Amino Acid Sequence,
pubmed-meshheading:15781183-Aminopeptidases,
pubmed-meshheading:15781183-Catalytic Domain,
pubmed-meshheading:15781183-Computer Graphics,
pubmed-meshheading:15781183-Computer Simulation,
pubmed-meshheading:15781183-Dipeptidyl-Peptidases and Tripeptidyl-Peptidases,
pubmed-meshheading:15781183-Drug Design,
pubmed-meshheading:15781183-Models, Molecular,
pubmed-meshheading:15781183-Molecular Sequence Data,
pubmed-meshheading:15781183-Sequence Homology, Amino Acid,
pubmed-meshheading:15781183-Serine Endopeptidases,
pubmed-meshheading:15781183-Serine Proteinase Inhibitors,
pubmed-meshheading:15781183-Sincalide,
pubmed-meshheading:15781183-Structure-Activity Relationship,
pubmed-meshheading:15781183-Thermodynamics
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pubmed:year |
2005
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|
pubmed:articleTitle |
Inhibitor-based validation of a homology model of the active-site of tripeptidyl peptidase II.
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pubmed:affiliation |
Johnson and Johnson Pharmaceutical Research and Development, Turnhoutseweg 30, B-2340 Beerse, Belgium. hdwinter@prdbe.jnj.com
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pubmed:publicationType |
Journal Article,
In Vitro,
Validation Studies
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