Title
Inhibitor-based validation of a homology model of the active-site of tripeptidyl peptidase II Inhibitor-based validation of a homology model of the active-site of tripeptidyl peptidase II
Author
Faculty/Department
Faculty of Pharmaceutical, Biomedical and Veterinary Sciences. Pharmacy
Publication type
article
Publication
Guildford ,
Subject
Mathematics
Chemistry
Biology
Computer. Automation
Source (journal)
Journal of molecular graphics and modelling. - Guildford
Volume/pages
23(2005) :5 , p. 409-418
ISSN
1093-3263
ISI
000228442700003
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Abstract
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.
E-info
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