Record Details

A QSAR study on a series of simplified digitalis-like compounds acting on Na<sup>+</sup>,K<sup>+</sup>-ATPase

NOPR - NISCAIR Online Periodicals Repository

View Archive Info
 
 
Field Value
 
Title A QSAR study on a series of simplified digitalis-like compounds acting on Na+,K+-ATPase
 
Creator Seelam, Jyostna
Satuluri, V S A Kumar
Gupta, S P
Anwer, Zaihra
 
Subject Quantitative structure-activity relationship
Na+
K+-ATPase inhibitors
Perhydroindenes
Cardiotonic agents
 
Description 158-163
Among the cardiotonics (agents against
congestive heart failure), the most important group is of the digitalis cardiac
glycosides, but since these compounds suffer from a low therapeutic index,
attention has been paid to investigating safer cardiotonic agents through the
inhibition of Na+,K+-ATPase, the mechanism by which the digitalis cardiac glycosides
elicit their action. Recently, a series of perhydroindenes were studied for
their Na+,K+-ATPase
inhibition activity. We report here a QSAR study on them to investigate the
physicochemical and structural properties of the molecules that govern their
activity in order to rationalize the structural modification to have more
potent drugs. A multiple regression analysis reveals a significant correlation
between the Na+,K+-ATPase inhibition activity of the compounds and Kier’s first order
valence molecular connectivity index of their R5-substituents and
some indicator parameters, suggesting that the R5-substituents of
the compounds containing atoms with low valence and high saturation and the R1-substituents
having =N−O− moiety will be conducive to the activity.
 
Date 2011-06-16T09:10:46Z
2011-06-16T09:10:46Z
2011-06
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://hdl.handle.net/123456789/11983
 
Language en_US
 
Rights CC Attribution-Noncommercial-No Derivative Works 2.5 India
 
Publisher NISCAIR-CSIR, India
 
Source IJBB Vol.48(3) [June 2011]