Three simplified “non-natural” natural taxanes, related to taxuspine X, were synthetized and assayed as P-glycoprotein (P-gp) inhibitors. One of them (6) proved to be a very efficient P-gp inhibitor with an IC50 = 7.2 × 10−6 M. In addition, to rationalize biological data, a pharmacophoric model was built through a ligand-based approach. This model represents the first example of a pharmacophore, which describes interactions of taxanes with P-gp.
Castagnolo, D., Contemori, L., Maccari, G., S. I., A., Neri, A., Sgaragli, G.P., et al. (2010). From Taxuspine X to structurally simplified Taxanes with remarkable P-Glycoprotein inhibitory activity. ACS MEDICINAL CHEMISTRY LETTERS, 1, 416-421 [10.1021/ml100118k].
From Taxuspine X to structurally simplified Taxanes with remarkable P-Glycoprotein inhibitory activity
CASTAGNOLO, DANIELE;CONTEMORI, LORENZO;MACCARI, GIORGIO;NERI, ALESSANDRO;SGARAGLI, GIAN PIETRO;BOTTA, MAURIZIO
2010-01-01
Abstract
Three simplified “non-natural” natural taxanes, related to taxuspine X, were synthetized and assayed as P-glycoprotein (P-gp) inhibitors. One of them (6) proved to be a very efficient P-gp inhibitor with an IC50 = 7.2 × 10−6 M. In addition, to rationalize biological data, a pharmacophoric model was built through a ligand-based approach. This model represents the first example of a pharmacophore, which describes interactions of taxanes with P-gp.
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https://hdl.handle.net/11365/9218
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