Abstract
We have obtained an effective correlation equation describing the structure dependence of the activity of a number of hydroxy- and methoxy-substituted flavonoids as cAMP phosphodiesterase inhibitors. We propose an original modification of the Hopfinger method of pairwise molecular shape descriptors which uses two shape reference molecules. The data obtained may be used to predict the activity of new flavonoid molecules.
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Translated from Teoreticheskaya Éksperimental'naya, Khimiya, Vol. 29, No. 1, 63–69, January–February, 1993.
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Tetko, I.V., Poda, G.I., Tanchuk, V.Y. et al. Modified Hopfinger analysis of the phosphodiesterase inhibiting activity of flavonoids. Theor Exp Chem 29, 45–50 (1994). https://doi.org/10.1007/BF00520261
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DOI: https://doi.org/10.1007/BF00520261