Abstract
A nearly complete set of 1H-1H coupling constants and NOEs were determined for the novel paclitaxel-like antimitotic agent epithilone A from phase sensitive DFQ COSY and NOESY experiments in 75% DMSO-d6/D2O. This data was employed as distance constraints for molecular modeling studies. Molecular dynamic simulations were carried out on a complete series of diastereoisomers, and the results show only two relative stereochemistries to be in agreement with the NOE data.
Original language | English (US) |
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Pages (from-to) | 893-898 |
Number of pages | 6 |
Journal | Bioorganic and Medicinal Chemistry Letters |
Volume | 6 |
Issue number | 7 |
DOIs | |
State | Published - Apr 9 1996 |
Bibliographical note
Funding Information:Support is acknowledged from the Kansas Health Foundation for postdoctoral fellowships awarded to
Copyright:
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