Publication Date:
1979-08-31
Description:
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.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Fullerton, D S -- Yoshioka, K -- Rohrer, D C -- From, A H -- Ahmed, K -- New York, N.Y. -- Science. 1979 Aug 31;205(4409):917-9.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/224455" target="_blank"〉PubMed〈/a〉
Keywords:
Animals
;
Brain/enzymology
;
Digitalis Glycosides/*pharmacology
;
Molecular Conformation
;
Rats
;
Sodium-Potassium-Exchanging ATPase/*antagonists & inhibitors
;
Structure-Activity Relationship
Print ISSN:
0036-8075
Electronic ISSN:
1095-9203
Topics:
Biology
,
Chemistry and Pharmacology
,
Computer Science
,
Medicine
,
Natural Sciences in General
,
Physics
