About: Structural characterization of P1 '-diversified urea-based inhibitors of glutamate carboxypeptidase II

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About: Structural characterization of P1 '-diversified urea-based inhibitors of glutamate carboxypeptidase II Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Urea-based inhibitors of human glutamate carboxypeptidase II (GCPII) have advanced into clinical trials for imaging metastatic prostate cancer. In parallel efforts, agents with increased lipophilicity have been designed and evaluated for targeting GCPII residing within the neuraxis. Here we report the structural and computational characterization of six complexes between GCPII and P1 '-diversified urea-based inhibitors that have the C-terminal glutamate replaced by more hydrophobic moieties. The X-ray structures are complemented by quantum mechanics calculations that provide a quantitative insight into the GCPII/inhibitor interactions. These data can be used for the rational design of novel glutamate-free GCPII inhibitors with tailored physicochemical properties. (C) 2014 Elsevier Ltd. All rights reserved. Urea-based inhibitors of human glutamate carboxypeptidase II (GCPII) have advanced into clinical trials for imaging metastatic prostate cancer. In parallel efforts, agents with increased lipophilicity have been designed and evaluated for targeting GCPII residing within the neuraxis. Here we report the structural and computational characterization of six complexes between GCPII and P1 '-diversified urea-based inhibitors that have the C-terminal glutamate replaced by more hydrophobic moieties. The X-ray structures are complemented by quantum mechanics calculations that provide a quantitative insight into the GCPII/inhibitor interactions. These data can be used for the rational design of novel glutamate-free GCPII inhibitors with tailored physicochemical properties. (C) 2014 Elsevier Ltd. All rights reserved. (en)
Title	Structural characterization of P1 '-diversified urea-based inhibitors of glutamate carboxypeptidase II Structural characterization of P1 '-diversified urea-based inhibitors of glutamate carboxypeptidase II (en)
skos:prefLabel	Structural characterization of P1 '-diversified urea-based inhibitors of glutamate carboxypeptidase II Structural characterization of P1 '-diversified urea-based inhibitors of glutamate carboxypeptidase II (en)
skos:notation	RIV/86652036:_____/14:00433586!RIV15-AV0-86652036
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(ED1.1.00/02.0109)
http://linked.open...iv/cisloPeriodika	10
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Černý, Jiří Bařinka, Cyril Ptáček, Jakub Pavlíček, Jiří Škultétyová, Ľubica
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Biotechnologický ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	47849
http://linked.open...ai/riv/idVysledku	RIV/86652036:_____/14:00433586
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	GCPII; Prostate-specific membrane antigen; PSMA (en)
http://linked.open.../riv/klicoveSlovo	PSMA GCPII Prostate-specific membrane antigen
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[89E101D7CD86]
http://linked.open...i/riv/nazevZdroje	Bioorganic and Medicinal Chemistry Letters
http://linked.open...in/vavai/riv/obor	FR
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	8 (xsd:int)
http://linked.open...vavai/riv/projekt	Biotechnology and Biomedicine Centre of the Academy of Sciences and Charles University
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	24
http://linked.open...iv/tvurceVysledku	Černý, Jiří Pavlíček, Jiří Bařinka, Cyril Byun, Y. Lubkowski, J. Škultétyová, Ľubica Pomper, M. G. Ptáček, Jakub
http://linked.open...ain/vavai/riv/wos	000335517300022
issn	0960-894X
number of pages	6 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.bmcl.2014.03.066

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