- Tytuł:
- Computational study of binding of epothilone A to β-tubulin
- Autorzy:
-
Kamel, Karol
Kolinski, Andrzej - Powiązania:
- https://bibliotekanauki.pl/articles/1039930.pdf
- Data publikacji:
- 2011
- Wydawca:
- Polskie Towarzystwo Biochemiczne
- Tematy:
-
epothilones
β-tubulin
flexible docking
drug design - Opis:
- Understanding the interactions of epothilones with β-tubulin is crucial for computer aided rational design of macrocyclic drugs based on epothilones and epothilone derivatives. Despite numerous structure-activity relationship investigations we still lack substantial knowledge about the binding mode of epothilones and their derivatives to β-tubulin. In this work, we reevaluated the electron crystallography structure of epothilone A/β-tubulin complex (PDB entry 1TVK) and proposed an alternative binding mode of epothilone A to β-tubulin that explains more experimental facts.
- Źródło:
-
Acta Biochimica Polonica; 2011, 58, 2; 255-260
0001-527X - Pojawia się w:
- Acta Biochimica Polonica
- Dostawca treści:
- Biblioteka Nauki
Artykuł