Side Chain Conformation of the Growth-Promoting Phytohormones Brassinolide and 24-Epibrassinolide
✍ Scribed by Matthias Stoldt; Andrea Porzel; Günter Adam; Wolfgang Brandt
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 321 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Quantitative 2D NOE measurements and restrained molecular dynamics simulations (with explicit solvent) were carried out in order to determine preferential solution side chain conformations of the two most important native brassinosteroids, brassinolide and 24-epibrassinolide. The NOE assignment was assisted by 1D NOE di †erence spectroscopy and included prochiral assignment of the side chain methyl groups Me-26 and Me-27. 2D NOE intensities were converted into inter-proton distances using the "complete relaxation matrix analysisÏ methodology. Restrained molecular dynamics simulations in a chloroform solvent box led to a well deÐned solution conformation in the case of brassinolide. The increased side chain Ñexibility in the case of 24-epibrassinolide is discussed, considering missing NOE correlations and vicinal proton coupling constants.