Screening of herbal constituents for aromatase inhibitory activity

Paoletta, S. and Steventon, G. B. and Wildeboer, Dirk and Ehrman, T. M. and Hylands, P. J. and Barlow, D. J. (2008) Screening of herbal constituents for aromatase inhibitory activity. Bioorganic & Medicinal Chemistry, 16 (18). pp. 8466-8470. ISSN 0968-0896

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Random Forest screening of the phytochemical constituents of 240 herbs used in traditional Chinese medicine identified a number of compounds as potential inhibitors of the human aromatase enzyme (CYP19). Molecular modelling/docking studies indicated that three of these compounds (myricetin, liquiritigenin and gossypetin) would be likely to form stable complexes with the enzyme. The results of the virtual screening studies were subsequently confirmed experimentally, by in vitro (fluorimetric) assay of the compounds’ inhibitory activity. The IC-50s for the flavones, myricetin and gossypetin were determined as 10 and 11 μM, respectively, whilst the flavanone, liquiritigenin, gave an IC-50 of 0.34 μM—showing about a 10-fold increase in potency, therefore, over the first generation aromatase inhibitor, aminoglutethimide.

Item Type:Article
Keywords (uncontrolled):Cytochrome P450; CYP19; Aromatase; Traditional Chinese medicine; Myricetin; Gossypetin; Liquiritigenin; Docking; Random Forests
Research Areas:A. > School of Science and Technology > Natural Sciences
A. > School of Science and Technology > Natural Sciences > Biophysics and Bioengineering group
Citations on ISI Web of Science:17
ID Code:3470
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Deposited On:04 Jan 2010 12:03
Last Modified:27 Mar 2015 11:48

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