Abstract
Complete conformational analysis of marinobufagenin molecule was fulfilled by ab initio calculations. The comparison of results obtained with analogous calculations of ouabain and ouabagenin molecules made it possible to understand the effect of decrease in the effective charge on the voltage-gated slow sodium channels Nav1.8 experimentally detected by the local fixation of potential. A mechanism is suggested of the interaction between the mentioned cardiotonic steroids with the membrane of the sensor neuron.
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Original Russian Text © I.V. Rogachevskii, T.N. Shelykh, S.A. Podzorova, B.V. Krylov, V.B. Plakhova, 2015, published in Zhurnal Organicheskoi Khimii, 2015, Vol. 51, No. 11, pp. 1649–1655.
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Rogachevskii, I.V., Shelykh, T.N., Podzorova, S.A. et al. Ab initio conformational analysis of marinobufagenin molecule and molecular targets of the action of cardiotonic steroids. Russ J Org Chem 51, 1620–1626 (2015). https://doi.org/10.1134/S1070428015110172
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DOI: https://doi.org/10.1134/S1070428015110172