Digitalis genin activity: Side-group carbonyl oxygen position is a major determinant

Dwight S. Fullerton, Kouichi Yoshioka, Douglas C. Rohrer, Arthur H.L. From, Khalil Ahmed

Research output: Contribution to journalArticlepeer-review

32 Scopus citations

Abstract

The Na+,K+-adenosine triphosphatase-inhibiting activity of digitalis genins and their analogs is a function of side-group carbonyl (C=O) oxygen position. For each 2.2 angstroms that this oxygen is displaced from its position in digitoxigenin, activity drops by one order of magnitude. This quantitative relation resolves previously proposed models which have attempted to describe the molecular basis of genin activity. A multidisciplinary (crystallographic, conformational energy, synthetic, biological) approach to structure-activity relations is described.

Original languageEnglish (US)
Pages (from-to)917-919
Number of pages3
JournalScience
Volume205
Issue number4409
DOIs
StatePublished - Jan 1 1979

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