Computational comparison of microtubule-stabilising agents laulimalide and peloruside with taxol and colchicine |
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Authors: | Pineda Oriol Farràs Jaume Maccari Laura Manetti Fabrizio Botta Maurizio Vilarrasa Jaume |
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Affiliation: | Departament de Química Orgànica, Facultat de Química, Universitat de Barcelona, 08028 Barcelona, Catalonia, Spain, EU. |
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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 beta tubulin paclitaxel binding site, although an additional, preferred binding site has been found at the alpha 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. |
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