Correlation of pharmacological properties of a group of beta-blocker agents by molecular topology.
The molecular connectivity method has been applied to the study of pharmacological properties, among which are found the angor treatment dose, alpha-distribution half-life and intravenous LD50 in mouse, of a group of beta-blocker agents, verifying its application in the prediction of theoretic values for said pharmacological properties. To do this, the obtained multiple regression functions of the corresponding connectivity indices were used in relation with the experimental values of the properties, which are accompanied by the statistical parameters used in their selection criteria, as well as the corresponding random and cross-validation studies of said functions, which corroborate the good correlation of the selected equations.
Garcia-March
F J
FJ
Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.
Cercós-Del-Pozo
R A
RA
Pérez-Giménez
F
F
Salabert-Salvador
M T
MT
Jaén-Oltra
J
J
Antón-Fos
G M
GM
D000319:Adrenergic beta-Antagonists / Q000008:administration & dosage / Q000493:pharmacokinetics / Q000494:pharmacology*; D000818:Animals; D006207:Half-Life; D007275:Injections, Intravenous; D007928:Lethal Dose 50; D051379:Mice; D008956:Models, Chemical; D011897:Random Allocation; D012044:Regression Analysis; D012984:Software; D013329:Structure-Activity Relationship
D000319:Adrenergic beta-Antagonists