Relative stereochemistry and solution conformation of the novel paclitaxel-like antimitotic agent epothilone A

Sam F. Victory, David G. Vander Velde, Ravi K. Jalluri, Gary L. Grunewald, Gunda I. Georg

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

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 languageEnglish (US)
Pages (from-to)893-898
Number of pages6
JournalBioorganic and Medicinal Chemistry Letters
Volume6
Issue number7
DOIs
StatePublished - Apr 9 1996

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