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Research Journals >
Indian Journal of Biochemistry and Biophysics (IJBB) >
IJBB Vol.48 [2011] >
IJBB Vol.48(3) [June 2011] >
| Title: | A QSAR study on a series of simplified digitalis-like compounds acting on Na+,K+-ATPase |
| Authors: | Seelam, Jyostna
Satuluri, V S A Kumar
Gupta, S P
Anwer, Zaihra |
| Keywords: | Quantitative structure-activity relationship
Na+
K+-ATPase inhibitors
Perhydroindenes
Cardiotonic agents |
| Issue Date: | Jun-2011 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | 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. |
| Page(s): | 158-163 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0959 (Online); 0301-1208 (Print) |
| Source: | IJBB Vol.48(3) [June 2011]
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