期刊
MARINE DRUGS
卷 11, 期 7, 页码 2314-2327出版社
MDPI
DOI: 10.3390/md11072314
关键词
marine sponge; Plakinastrella mamillaris; oxygenated polyketide; nuclear receptors; pregnane-X-receptor; anti-inflammatory activity
资金
- MIUR
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 (H-1 and C-13, 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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