1. Academic Validation
  2. Structure and conformational dynamics of trichothecene mycotoxins

Structure and conformational dynamics of trichothecene mycotoxins

  • J Nat Prod. 2008 Apr;71(4):589-94. doi: 10.1021/np070562x.
Wayne E Steinmetz 1 Paul Robustelli Eric Edens David Heineman
Affiliations

Affiliation

  • 1 Chemistry Department, Pomona College, Claremont, California 91711, USA. wsteinmetz@pomona.edu
Abstract

A combination of NMR spectroscopy and molecular modeling has been employed to characterize the conformation and dynamics of the Macrolide ring in verrucarin A and roridin A, two closely related toxins in the trichothecene mycotoxin family. Longitudinal carbon-13 relaxation times demonstrate the relative flexibility of the Macrolide ring. The calculations, NOEs, and scalar vicinal coupling constants show that verrucarin A in CDCl 3 and CD 2Cl 2 predominantly adopts a single, well-defined conformation that matches the crystal structure. In contrast, roridin A is present as a mixture of two conformers.

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