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Quantum-chemical study on calcium(II) chelates with ouabagenin

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Abstract

Complete conformational analysis of 1: 1 calcium(II) chelates with ouabagenin was performed ab initio. Analysis of the effect of complex formation on the steric and electronic structures revealed that ouabagenin molecule is capable of coordinating Ca2+ ion in three different modes. The lack of rhamnose fragment in the ouabagenin molecule, in contrast to ouabain, sharply reduces its physiological activity related to its ability to bind at transducer Na+/K+-ATPase site.

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Authors and Affiliations

  1. Pavlov Institute of Physiology, Russian Academy of Sciences, nab. Makarova 6, St. Petersburg, 199034, Russia

    I. V. Rogachevskii, E. V. Lopatina, V. A. Penniyainen & B. V. Krylov

  2. Mechnikov St. Petersburg State Medical Academy, Piskarevskii pr. 47, St. Petersburg, 195067, Russia

    A. V. Kipenko

Authors
  1. I. V. Rogachevskii
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  2. E. V. Lopatina
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  3. V. A. Penniyainen
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  4. A. V. Kipenko
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  5. B. V. Krylov
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Correspondence to I. V. Rogachevskii.

Additional information

Original Russian Text © I.V. Rogachevskii, E.V. Lopatina, V.A. Penniyainen, A.V. Kipenko, B.V. Krylov, 2011, published in Zhurnal Organicheskoi Khimii, 2011, Vol. 47, No. 1, pp. 131–139.

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Rogachevskii, I.V., Lopatina, E.V., Penniyainen, V.A. et al. Quantum-chemical study on calcium(II) chelates with ouabagenin. Russ J Org Chem 47, 131–139 (2011). https://doi.org/10.1134/S1070428011010179

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  • DOI: https://doi.org/10.1134/S1070428011010179

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