Microtubule-stabilising agents laulimalide and peloruside have been compared with tubulin-interacting drugs paclitaxel and colchicine by different computational approaches. Docking and QSAR-based programs point to a favourable interaction with the β tubulin paclitaxel binding site, although an additional, preferred binding site has been found at the α subunit of tubulin. All together provides a plausible rationalisation of the singular binding features of these microtubule stabilisers and paves the way for future structural studies.
Pineda, O., Farras, J., Maccari, L., Manetti, F., Botta, M., Vilarrasa, J. (2004). Computational Comparison of Microtubule-Stabilising Agents Laulimalide and Peloruside with Taxol and Colchicine. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 14(19), 4825-4829 [10.1016/j.bmcl.2004.07.053].
Computational Comparison of Microtubule-Stabilising Agents Laulimalide and Peloruside with Taxol and Colchicine
MANETTI, FABRIZIO;BOTTA, MAURIZIO;
2004-01-01
Abstract
Microtubule-stabilising agents laulimalide and peloruside have been compared with tubulin-interacting drugs paclitaxel and colchicine by different computational approaches. Docking and QSAR-based programs point to a favourable interaction with the β tubulin paclitaxel binding site, although an additional, preferred binding site has been found at the α subunit of tubulin. All together provides a plausible rationalisation of the singular binding features of these microtubule stabilisers and paves the way for future structural studies.File | Dimensione | Formato | |
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https://hdl.handle.net/11365/22501
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