Search for the potential glycosyltransferase inhibitors-Docking study
The result's identifiers
Result code in 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>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Search for the potential glycosyltransferase inhibitors-Docking study
Original language description
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.
Czech name
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Czech description
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Classification
Type
O - Miscellaneous
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů