Journal
JOURNAL OF NATURAL PRODUCTS
Volume 85, Issue 4, Pages 972-979Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jnatprod.1c01108
Keywords
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Funding
- National Natural Science Foundation of China [81973219]
- CAMS Innovation Fund for Medical Sciences (CIFMS) [2021-I2M-1-028]
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This study utilized MS/MS-based molecular networking strain prioritization to discover a group of cyclic depsipeptides from an endolichenic Xylaria sp. The main component, xylaroamide A (1), was isolated using LC-MS guidance. Elucidation of the compound's structure and configuration was achieved through ID and 2D NMR, as well as MS/MS data. The compound exhibited inhibitory activity against cancer cell lines BT-549 and RKO, making it a potentially valuable candidate for drug development.
MS/MS-based molecular networking strain prioritization led to the discovery of a group of cyclic depsipeptides from an endolichenic Xylaria sp. The main component, xylaroamide A (1), was obtained by LC-MS-guided isolation. The planar structure of compound 1 was elucidated via ID and 2D NMR, as well as MS/MS data. The configurations were fully determined by the combination of advanced Marfey's analysis, partial hydrolysis, Mosher's reaction, and GIAO NMR calculation based on a restricted conformational search. A plausible biosynthetic pathway for xylaroamide A (1) involving a rare trans-acting N-methyltransferase is proposed based on bioinformatics analysis. Xylaroamide A (1) exhibited inhibitory activity against cancer cell lines BT-549 and RKO with IC50 values of 2.5 and 9.5 mu M, respectively.
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