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Chem Biol Drug Des. 2013 Jul;82(1):60-70. doi: 10.1111/cbdd.12132.

Experimental and computational study of the interaction of novel colchicinoids with a recombinant human αI/βI-tubulin heterodimer.

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  • 1Department of Oncology, University of Alberta, Edmonton, AB, Canada T6G 1Z2.

Abstract

The binding free energies on human tubulin of selected colchicine and thiocolchicine compounds were determined. Two methods were used for the determination of binding free energies: one is based on theoretical prediction simulating the dissociation of the compound from tubulin using a series of molecular dynamics simulations, and the other method involves a series of experiments that measured the affinity of the compound on a synthetically expressed and purified tubulin protein using a spectrofluorometric technique.

© 2013 John Wiley & Sons A/S.

PMID:
23480279
[PubMed - indexed for MEDLINE]
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