Further 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 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.

Oxygenated Polyketides from Plakinastrella mamillaris as a New Chemotype of PXR Agonists / Festa, Carmen; C., D’Amore; B., Renga; G., Lauro; DE MARINO, Simona; D'Auria, MARIA VALERIA; G., Bifulco; Zampella, Angela; S., Fiorucci. - In: MARINE DRUGS. - ISSN 1660-3397. - 11:7(2013), pp. 2314-2327. [10.3390/md11072314]

Oxygenated Polyketides from Plakinastrella mamillaris as a New Chemotype of PXR Agonists

FESTA, CARMEN;DE MARINO, SIMONA;D'AURIA, MARIA VALERIA;ZAMPELLA, ANGELA;
2013

Abstract

Further 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 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.
2013
Oxygenated Polyketides from Plakinastrella mamillaris as a New Chemotype of PXR Agonists / Festa, Carmen; C., D’Amore; B., Renga; G., Lauro; DE MARINO, Simona; D'Auria, MARIA VALERIA; G., Bifulco; Zampella, Angela; S., Fiorucci. - In: MARINE DRUGS. - ISSN 1660-3397. - 11:7(2013), pp. 2314-2327. [10.3390/md11072314]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11588/567106
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