Oxygenated Polyketides from Plakinastrella mamillaris as a New Chemotype of PXR Agonists
AbstractFurther purification of the apolar extracts of the sponge Plakinastrella mamillaris, afforded a new oxygenated polyketide named gracilioether K, together with the previously isolated gracilioethers E–G and gracilioethers I and J. The structure of the new compound has been elucidated by extensive NMR (1H and 13C, COSY, HSQC, HMBC, and ROESY) and ESI-MS analysis. With the exception of gracilioether F, all compounds are endowed with potent pregnane-X-receptor (PXR) agonistic activity and therefore represent a new chemotype of potential anti-inflammatory leads. Docking calculations suggested theoretical binding modes of the identified compounds, compatible with an agonistic activity on hPXR, and clarified the molecular basis of their biological activities.
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Festa, C.; D'Amore, C.; Renga, B.; Lauro, G.; Marino, S.D.; D'Auria, M.V.; Bifulco, G.; Zampella, A.; Fiorucci, S. Oxygenated Polyketides from Plakinastrella mamillaris as a New Chemotype of PXR Agonists. Mar. Drugs 2013, 11, 2314-2327.
Festa C, D'Amore C, Renga B, Lauro G, Marino SD, D'Auria MV, Bifulco G, Zampella A, Fiorucci S. Oxygenated Polyketides from Plakinastrella mamillaris as a New Chemotype of PXR Agonists. Marine Drugs. 2013; 11(7):2314-2327.Chicago/Turabian Style
Festa, Carmen; D'Amore, Claudio; Renga, Barbara; Lauro, Gianluigi; Marino, Simona D.; D'Auria, Maria V.; Bifulco, Giuseppe; Zampella, Angela; Fiorucci, Stefano. 2013. "Oxygenated Polyketides from Plakinastrella mamillaris as a New Chemotype of PXR Agonists." Mar. Drugs 11, no. 7: 2314-2327.