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Screening of herbal constituents for aromatase inhibitory activity

Paoletta, S, Steventon, GB, Wildeboer, D, Ehrman, TM, Hylands, PJ and Barlow, DJ (2008) Screening of herbal constituents for aromatase inhibitory activity BIOORGANIC & MEDICINAL CHEMISTRY, 16 (18). 8466 - 8470. ISSN 0968-0896

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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 μM 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
Uncontrolled Keywords: Science & Technology, Life Sciences & Biomedicine, Physical Sciences, Biochemistry & Molecular Biology, Chemistry, Medicinal, Chemistry, Organic, Pharmacology & Pharmacy, Chemistry, cytochrome P450, CYP19, aromatase, traditional chinese medicine, myricetin, gossypetin, liquiritigenin, docking, random forests, SITE-DIRECTED MUTAGENESIS, BREAST-CANCER, BINDING CHARACTERISTICS, NATURAL-PRODUCTS, IN-VITRO, PHYTOESTROGENS, FLAVONOIDS, PROTECTION, INDUCTION, MYRICETIN
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Divisions: Faculty of Health and Medical Sciences > Clinical Medicine
Depositing User: Melanie Hughes
Date Deposited: 16 Feb 2011 15:37
Last Modified: 03 Aug 2013 13:43
URI: http://epubs.surrey.ac.uk/id/eprint/2761

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