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Title
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Inhibitor-based validation of a homology model of the active-site of tripeptidyl peptidase II
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Author
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Abstract
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| 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 fora 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 TIPP II active site model, supporting the validity of this model and its usefulness for structure-based drug design and pharmacophore searching experiments. (c) 2004 Elsevier Inc. All rights reserved. |
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Language
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English
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Source (journal)
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Journal of molecular graphics and modelling. - Guildford
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Publication
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Guildford
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2005
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ISSN
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1093-3263
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DOI
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10.1016/J.JMGM.2004.11.009
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Volume/pages
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23
:5
(2005)
, p. 409-418
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ISI
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000228442700003
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Full text (Publisher's DOI)
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Full text (publisher's version - intranet only)
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