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Total Structure Determination of Grassypeptolide, a New Marine Cyanobacterial Cytotoxin

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NIAID Data Ecosystem2026-03-06 收录
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https://figshare.com/articles/dataset/Total_Structure_Determination_of_Grassypeptolide_a_New_Marine_Cyanobacterial_Cytotoxin/2953438
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资源简介:
A collection of the cyanobacterium Lyngbya confervoides off Grassy Key in Florida yielded grassypeptolide (1), a 31-membered macrocyclic depsipeptide with unusually high d-amino acid content, two thiazolines, and one β-amino acid. We report the rigorous 3D structure determination and conformational analysis in solution and solid state by NMR, MS, X-ray crystallography, chemical degradation, and molecular modeling involving distance geometry and restrained molecular dynamics. Grassypeptolide (1) inhibited cancer cell growth with IC50 values from 1.0 to 4.2 μM.
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2016-06-03
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