TY - JOUR
T1 - Digitalis genin activity
T2 - Side-group carbonyl oxygen position is a major determinant
AU - Fullerton, Dwight S.
AU - Yoshioka, Kouichi
AU - Rohrer, Douglas C.
AU - From, Arthur H.L.
AU - Ahmed, Khalil
PY - 1979
Y1 - 1979
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0018697481&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0018697481&partnerID=8YFLogxK
U2 - 10.1126/science.224455
DO - 10.1126/science.224455
M3 - Article
C2 - 224455
AN - SCOPUS:0018697481
SN - 0036-8075
VL - 205
SP - 917
EP - 919
JO - Science
JF - Science
IS - 4409
ER -