Informace o publikaci
Search for the potential glycosyltransferase inhibitors-Docking study
| Autoři | |
|---|---|
| Rok publikování | 2009 |
| Druh | Konferenční abstrakty |
| Fakulta / Pracoviště MU | |
| Citace | |
| Popis | 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. |