Oxygenated polyketides from Plakinastrella mamillaris as a new chemotype of PXR agonists.
Mar Drugs
; 11(7): 2314-27, 2013 Jul 02.
Article
em En
| MEDLINE
| ID: mdl-23820629
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 (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.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Poríferos
/
Receptores de Esteroides
/
Policetídeos
Tipo de estudo:
Prognostic_studies
Limite:
Animals
/
Humans
Idioma:
En
Ano de publicação:
2013
Tipo de documento:
Article