Total structure determination of grassypeptolide, a new marine cyanobacterial cytotoxin |
| |
Authors: | Kwan Jason C Rocca James R Abboud Khalil A Paul Valerie J Luesch Hendrik |
| |
Institution: | Department of Medicinal Chemistry, University of Florida, Gainesville, Florida 32610, USA. |
| |
Abstract: | 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 beta-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 microM. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|