کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1360375 | 981434 | 2008 | 5 صفحه PDF | دانلود رایگان |
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.
Figure optionsDownload as PowerPoint slide
Journal: Bioorganic & Medicinal Chemistry - Volume 16, Issue 18, 15 September 2008, Pages 8466–8470