Computational study of binding of epothilone A to β-tubulin.
Summary of "Computational study of binding of epothilone A to β-tubulin."
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.
Affiliation
Laboratory of Theory of Biopolymers, Faculty of Chemistry, University of Warsaw, Warsaw, Poland.
Journal Details
This article was published in the following journal.
Name: Acta biochimica Polonica
ISSN: 1734-154X
Pages:
Links
- PubMed Source: http://www.ncbi.nlm.nih.gov/pubmed/21633729
- DOI: http://dx.doi.org/
Medical and Biotech [MESH] Definitions
Tubulin Modulators
Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES.
Microtubules
Slender, cylindrical filaments found in the cytoskeleton of plant and animal cells. They are composed of the protein TUBULIN and are influenced by TUBULIN MODULATORS.
N-methylscopolamine
A muscarinic antagonist used to study binding characteristics of muscarinic cholinergic receptors.
Neurocalcin
A neuronal calcium sensor protein that is expressed as several isoforms and can interact with ACTIN; TUBULIN; and CLATHRIN.
Antimitotic Agents
Agents that arrest cells in MITOSIS, most notably TUBULIN MODULATORS.
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