Discovery of a fragment hit compound targeting D-Ala
| Autor: | Proj, Matic, Hrast, Martina, Bajc, Gregor, dipl biol, Frlan, Rok, Meden, Anže, Butala, Matej, biokemik, Gobec, Stanislav |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
fragment-based drug discovery
hit triage inhibitors antibacterial agents antibakterijska sredstva zaviralci odkrivanje zdravil na osnovi fragmentov Bakterijska rezistenca zaviralci antibakterijska sredstva odkrivanje zdravil na osnovi fragmentov triaža zadetkov hit triage inhibitors antibacterial agents fragment-based drug discovery triaža zadetkov udc:615.4 udc:615.4:54:615.015.8 |
| Zdroj: | Journal of enzyme inhibition and medicinal chemistry, vol. 38, no. 11, pp. 387-397, 2023. Journal of enzyme inhibition and medicinal chemistry, str. 387-397 : Ilustr., Vol. 38, iss. 1, 2023 COBISS-ID: 22763225 |
| ISSN: | 1475-6374 |
| Popis: | Bacterial resistance is an increasing threat to healthcare systems, highlighting the need for discovering new antibacterial agents. An established technique, fragment-based drug discovery, was used to target a bacterial enzyme Ddl involved in the biosynthesis of peptidoglycan. We assembled general and focused fragment libraries that were screened in a biochemical inhibition assay. Screening revealed a new fragment-hit inhibitor of DdlB with a Ki value of 20.7 ± 4.5 µM. Binding to the enzyme was confirmed by an orthogonal biophysical method, surface plasmon resonance, making the hit a promising starting point for fragment development. Nasl. z nasl. zaslona. Opis vira z dne 6. 12. 2022. Bibliografija: str. 396-397. ARRS, P1-0208 ARRS |
| Databáze: | OpenAIRE |
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