De Marino S., Sepe V., D'Auria M. V., Bifulco G., Renga B., Petek Sylvain, Fiorucci S., Zampella A. (2011). Towards new ligands of nuclear receptors. Discovery of malaitasterol A, an unique bis-secosterol from marine sponge Theonella swinhoei. Organic and Biomolecular Chemistry, 9 (13), p. 4856-4862. ISSN 1477-0520.
Titre du document
Towards new ligands of nuclear receptors. Discovery of malaitasterol A, an unique bis-secosterol from marine sponge Theonella swinhoei
De Marino S., Sepe V., D'Auria M. V., Bifulco G., Renga B., Petek Sylvain, Fiorucci S., Zampella A.
Source
Organic and Biomolecular Chemistry, 2011,
9 (13), p. 4856-4862 ISSN 1477-0520
Malaitasterol A, an unprecedented bis-secosterol, was isolated from a Solomon collection of Theonella swinhoei. The structure was elucidated on the basis of a combination of comprehensive 1D and 2D NMR analysis, high-resolution mass spectrometry and DFT C-13 chemical shift calculations. The biological characterization of malaitasterol A provided evidence that this compound is a potent agonist of pregnane-X-receptor and its putative binding mode to PXR has been obtained through docking calculations.
