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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652036%3A_____%2F14%3A00433586" target="_blank" >RIV/86652036:_____/14:00433586 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1016/j.bmcl.2014.03.066" target="_blank" >http://dx.doi.org/10.1016/j.bmcl.2014.03.066</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.bmcl.2014.03.066" target="_blank" >10.1016/j.bmcl.2014.03.066</a>

Result language

angličtina

Original language name

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

Original language 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 GCPIIresiding 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 physicochemicalproperties. (C) 2014 Elsevier Ltd. All rights reserved.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

FR - Pharmacology and apothecary chemistry

OECD FORD branch

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Project

<a href="/en/project/ED1.1.00%2F02.0109" target="_blank" >ED1.1.00/02.0109: Biotechnology and Biomedicine Centre of the Academy of Sciences and Charles University</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2014

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Bioorganic and Medicinal Chemistry Letters

ISSN

0960-894X

e-ISSN

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Volume of the periodical

24

Issue of the periodical within the volume

10

Country of publishing house

GB - UNITED KINGDOM

Number of pages

6

Pages from-to

2340-2345

UT code for WoS article

000335517300022

EID of the result in the Scopus database

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