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- W2949406687 abstract "Abstract A series of coumarin-3-acyl derivatives have been synthesized and investigated for the ability to inhibit selectively monoamine oxidases. The coumarin-3-carboxylic acids, 2a–e, proved to be reversible and selective inhibitors of the MAO-B isoform, displaying pIC50 values of particular interest: 2a shows pIC50 7.76 and a selectivity index (pS.I.) 2.94 and 2b shows pIC50 7.72 and a pS.I. of 2.80. The coumarin-3-acyl chlorides 3a–e showed high pIC50 values against both MAO-A and MAO-B isoforms, 3d being the highest against MAO-B with a pIC50 value of 8.00. In order to rationalize the activity/selectivity results, molecular descriptors were generated. Further insight about enzyme–inhibitor interaction was obtained by docking experiments with the MAO-B isoform." @default.
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- W2949406687 date "2004-11-16" @default.
- W2949406687 modified "2023-09-23" @default.
- W2949406687 title "Inhibition of Monoamine Oxidases by Coumarin-3-acyl Derivatives: Biological Activity and Computational Study." @default.
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- W2949406687 doi "https://doi.org/10.1002/chin.200446136" @default.
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