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- Title
Experimental and computational study of the interaction of novel colchicinoids with a recombinant human αI/βI-tubulin heterodimer.
- Authors
Mane, Jonathan Y; Semenchenko, Valentyna; Perez-Pineiro, Rolando; Winter, Philip; Wishart, David; Tuszynski, Jack A
- 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.
- Publication
Chemical biology & drug design, 2013, Vol 82, Issue 1, p60
- ISSN
1747-0285
- Publication type
Journal Article
- DOI
10.1111/cbdd.12132