%0 Journal Article %9 ACL : Articles dans des revues avec comité de lecture répertoriées par l'AERES %A De Marino, S. %A Sepe, V. %A D'Auria, M. V. %A Bifulco, G. %A Renga, B. %A Petek, Sylvain %A Fiorucci, S. %A Zampella, A. %T Towards new ligands of nuclear receptors. Discovery of malaitasterol A, an unique bis-secosterol from marine sponge Theonella swinhoei %D 2011 %L fdi:010052514 %G ENG %J Organic and Biomolecular Chemistry %@ 1477-0520 %M ISI:000291654800026 %N 13 %P 4856-4862 %R 10.1039/c1ob05378g %U https://www.documentation.ird.fr/hor/fdi:010052514 %> https://www.documentation.ird.fr/intranet/publi/depot/2011-11-21/010052514.pdf %V 9 %W Horizon (IRD) %X 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. %$ 035