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Royal Society of Chemistry, Organic and Biomolecular Chemistry, 13(9), p. 4856

DOI: 10.1039/c1ob05378g

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Towards new ligands of nuclear receptors. Discovery of malaitasterol A, an unique bis-secosterol from marine sponge Theonella swinhoei

Journal article published in 2011 by Simona De Marino ORCID, Valentina Sepe, Maria Valeria D'Auria, Giuseppe Bifulco, Barbara Renga, Sylvain Petek, Stefano Fiorucci, Angela Zampella ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

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 (13)C 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.