Search for the potential glycosyltransferase inhibitors-Docking study

Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F09%3A00039162" target="_blank" >RIV/00216224:14310/09:00039162 - isvavai.cz</a>
Výsledek na webu
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DOI - Digital Object Identifier
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Jazyk výsledku
angličtina
Název v původním jazyce
Search for the potential glycosyltransferase inhibitors-Docking study
Popis výsledku v původním jazyce
Determined the structure of a transition state (TS) for the enzymatic reaction catalyzed by GnT-I have beeen used as the proposed inhibitor scaffold. The proposed scaffoldmimic the arrangement of GlcNAc, UDP and acceptor in TS. Stable conformers were docked into crystal structure of GnT-I (PDB code 1FOA) using the Glide software package. The binding energy was computed using the Liaison software package. The computed energies were compared with the binding energy calculated for the natural substrate UDP-GlcNAc.
Název v anglickém jazyce
Search for the potential glycosyltransferase inhibitors-Docking study
Popis výsledku anglicky
Determined the structure of a transition state (TS) for the enzymatic reaction catalyzed by GnT-I have beeen used as the proposed inhibitor scaffold. The proposed scaffoldmimic the arrangement of GlcNAc, UDP and acceptor in TS. Stable conformers were docked into crystal structure of GnT-I (PDB code 1FOA) using the Glide software package. The binding energy was computed using the Liaison software package. The computed energies were compared with the binding energy calculated for the natural substrate UDP-GlcNAc.

Rok uplatnění
2009
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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