Journal
CHEMICAL BIOLOGY & DRUG DESIGN
Volume 82, Issue 1, Pages 60-70Publisher
WILEY-BLACKWELL
DOI: 10.1111/cbdd.12132
Keywords
colchicine; drug design; fluorescence spectroscopy; molecular modeling; structure-based drug design; tubulin
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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.
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