RT Journal Article
SR Electronic
T1 β-Adrenergic Drugs: Analysis of Crystallographic and Theoretical Results
JF Molecular Pharmacology
JO Mol Pharmacol
FD American Society for Pharmacology and Experimental Therapeutics
SP 339
OP 343
VO 17
IS 3
A1 JEAN-MICHEL LEGER
A1 MICHEL GADRET
A1 ALAIN CARPY
YR 1980
UL http://molpharm.aspetjournals.org/content/17/3/339.abstract
AB Detailed crystallographic investigations of three chemically distinct families of drugs with β-adrenergic inhibiting activity have been compared with the results of PCILO calculations and three key features located. The presence of the same features in a β-adrenergic stimulating drug enables us to propose that they define the site responsible for binding to their receptor. In two recently synthesized compounds, the molecule folds in upon itself in order to preserve these features. ACKNOWLEDGMENT The authors are grateful to D. Watkin (on leave from Oxford University) for correcting the English in the manuscript.