AI Article Synopsis
- The study examines the effects of three functionalized hexavanadates on Na/K-ATPase activity in vitro, highlighting their inhibitory properties.
- All tested compounds inhibit Na/K-ATPase in a dose-dependent manner, with Na [VO{(OCH)CCH}] demonstrating the strongest inhibition (IC = 5.50 × 10 M).
- The researchers employed theoretical methods, including electrostatic potential calculations and molecular interaction field (MIF) surface analysis, to further understand the bioactivity of these hexavanadates.
Article Abstract
The influence of three functionalized hexavanadates (V): Na [VO{(OCH)CCH}], [H] [VO{(OCH)CCHOCOCHCH}] and [(CH)N] [VO{(OCH)CCHOOC(CH)-COOH} on Na/K-ATPase activity, was investigated in vitro. Including compounds already tested by Xu et al. (Journal of Inorganic Biochemistry 161 (2016) 27-36), all functionalized hexavanadates inhibit the activity of Na/K-ATPase in a dose-dependent manner but with different inhibitory potencies. Na [VO{(OCH)CCH}] was found to have the best inhibition properties - showing 50% inhibition IC = 5.50 × 10 M, while [(CH)N] [VO{(OCH)CCHOOC(CH)-COOH}] showed the lowest inhibitory power, IC = 1.31 × 10 M. In order to understand the bioactivity of functionalized hexavanadates series, we have also used a combined theoretical approach: determination of electrostatic potential from ab initio theoretical calculations and computation of the molecular interaction field (MIF) surface.
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| http://dx.doi.org/10.1016/j.jinorgbio.2019.110720 | DOI Listing |
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