Free Energy Calculations on the Binding of Colchicine and Its Derivatives with the α/β-Tubulin Isoforms

@article{Mane2008FreeEC,
  title={Free Energy Calculations on the Binding of Colchicine and Its Derivatives with the α/β-Tubulin Isoforms},
  author={Jonathan Y. Mane and Mariusz Klobukowski and J. Torin Huzil and Jack Adam Tuszynski},
  journal={Journal of chemical information and modeling},
  year={2008},
  volume={48 9},
  pages={1824-32}
}
Tubulin is the target for numerous small molecule ligands which alter microtubule dynamics leading to cell cycle arrest and apoptosis. Many of these ligands are currently used clinically for the treatment of several types of cancer, and they bind to one of three distinct binding sites within beta-tubulin (paclitaxel, vinca, and colchicine), all of which have been identified crystallographically. Unfortunately, serious side effects always accompany chemotherapy since these drugs bind to tubulin… CONTINUE READING

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