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Issue 20, 2006
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Solution structures by NMR of a novel antifungal drug: Petriellin A

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Abstract

Petriellin A is a novel cyclic depsipeptide antifungal compound consisting of nine L-configured residues, one D-phenyllactic acid (PhLac) and three unknown chiral centres: two N-methyl-threonines (MeThr1 & MeThr2) and one N-methyl-isoleucine (MeIle). NMR experiments including 2D ROESY, NOESY along with structural and energy calculations predicted that the unknown chiral centres were all L-configured, which was later verified chemically. Simulated annealing, dynamics calculations and minimisation processes showed Petriellin A to have a folded “C-shaped” structure.

Graphical abstract: Solution structures by NMR of a novel antifungal drug: Petriellin A

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Article information


Submitted
14 Jun 2006
Accepted
25 Aug 2006
First published
08 Sep 2006

Org. Biomol. Chem., 2006,4, 3802-3807
Article type
Paper

Solution structures by NMR of a novel antifungal drug: Petriellin A

J. Dang, L. Aurelio, A. B. Hughes and R. T. C. Brownlee, Org. Biomol. Chem., 2006, 4, 3802
DOI: 10.1039/B608434F

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