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dc.contributor.authorSeelam, Jyostna-
dc.contributor.authorSatuluri, V S A Kumar-
dc.contributor.authorGupta, S P-
dc.contributor.authorAnwer, Zaihra-
dc.identifier.issn0975-0959 (Online); 0301-1208 (Print)-
dc.description.abstractAmong 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.en_US
dc.publisherNISCAIR-CSIR, Indiaen_US
dc.rights CC Attribution-Noncommercial-No Derivative Works 2.5 Indiaen_US
dc.sourceIJBB Vol.48(3) [June 2011]en_US
dc.subjectQuantitative structure-activity relationshipen_US
dc.subjectK+-ATPase inhibitorsen_US
dc.subjectCardiotonic agentsen_US
dc.titleA QSAR study on a series of simplified digitalis-like compounds acting on Na+,K+-ATPaseen_US
Appears in Collections:IJBB Vol.48(3) [June 2011]

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