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

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.

Concentration of uranium levels in groundwater

The uranium isotopes during their course of their disintegration decay into other radioactive elements and eventually decay into stable lead isotopes. The cause of environmental concern is the emanation of beta and gamma radiation during disintegration. The present study tends to estimate uranium in groundwater trapped in granite and gneiss rocks. Besides, the study aims at estimating the radiation during natural disintegration process. The water samples were collected and analyzed following inductively coupled plasma mass spectrometric technique while water sample collection was given to the regions of Kolar District, South India, due to the representation. The significant finding was the observation of very high levels of uranium in groundwater compared to similar assays reported at other nearby districts. Also, the levels were considerable to those compared to groundwater levels of uranium reported by other scientists. On the basis of this study, it was inferred that the origin of uranium was from granite strata and there was a trend of diffusion observed in the course of flow-path of water in the region