Screening of herbal constituents for aromatase inhibitory activity

Article

Paoletta, S., Steventon, G., Wildeboer, D., Ehrman, T., Hylands, P. and Barlow, D. 2008. Screening of herbal constituents for aromatase inhibitory activity. Bioorganic & Medicinal Chemistry. 16 (18), pp. 8466-8470. https://doi.org/10.1016/j.bmc.2008.08.034
TypeArticle
TitleScreening of herbal constituents for aromatase inhibitory activity
AuthorsPaoletta, S., Steventon, G., Wildeboer, D., Ehrman, T., Hylands, P. and Barlow, D.
Abstract

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.

KeywordsCytochrome P450; CYP19; Aromatase; Traditional Chinese medicine; Myricetin; Gossypetin; Liquiritigenin; Docking; Random Forests
Research GroupBiophysics and Bioengineering group
PublisherPergamon
JournalBioorganic & Medicinal Chemistry
ISSN0968-0896
Publication dates
PrintSep 2008
Publication process dates
Deposited04 Jan 2010
Output statusPublished
Digital Object Identifier (DOI)https://doi.org/10.1016/j.bmc.2008.08.034
LanguageEnglish
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