title: A quantitative structure-activity relationship study on a series of Na+, K+-ATPase inhibitors.
abstract: A quantitative structure-activity relationship (QSAR) study has been made on a new series of digitalis-like Na+,K+-ATPase inhibitors in which the guanylhydrazone group has been replaced by an aminoalkyloxime group. The correlations obtained have shown that the oxime moiety, primary amine group, overall size, and polarizability of the new type of substituents are higly beneficial to the Na+,K+-ATPase inhibition potency of the compounds and that their effect can be quantitatively assessed. The study also showed that the inotropic activity of the compounds is very well correlated with their Na+,K+-ATPase inhibition potency.
authors.affiliation: Department of Chemistry, Birla Institute of Technology and Science, Pilani-333031, India. spg@bits-pirani.ac.in
authors.forename: S P
authors.initials: SP
authors.lastname: Gupta
authors.forename: Priyanka
authors.initials: P
authors.lastname: Bagaria
authors.forename: S
authors.initials: S
authors.lastname: Kumaran
mesh_terms: D008968:Molecular Conformation; D011506:Proteins / Q000737:chemistry* / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D000254:Sodium-Potassium-Exchanging ATPase / Q000037:antagonists & inhibitors*; D000097795:ATPase Inhibitory Protein
chemical_list: D011506:Proteins; D000254:Sodium-Potassium-Exchanging ATPase; D000097795:ATPase Inhibitory Protein