Computational study of binding of epothilone A to beta-tubulin

• Autorzy: Kamel K. , Kolinski A.
• Języki publikacji: EN

Abstrakty

EN

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.

• Wydawca: -
• Czasopismo: Acta Biochimica Polonica
• Rocznik: 2011
• Tom: 58
• Numer: 2
• Opis fizyczny: p.255-260,fig.,ref.

Twórcy

autor

Kamel K.

• Laboratory of Theory of Biopolymers, Faculty of Chemistry, University of Warsaw, Warszawa, Poland

autor

Kolinski A.

Bibliografia

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