􀁘 Anti-breast cancer activity of low molecular weight compounds in
wild mushrooms
Froufe HJ, Abreu RM, and Ferreira IC. Using molecular docking to investigate
the anti-breast cancer activity of low molecular weight compounds present on
wild mushrooms. SAR QSAR Environ Res. 2011; 3: 315-328.
Mushrooms are a source of compounds with anti-tumour and immunostimulating
properties, and their intake has been shown to reduce the risk of breast cancer.
A large number of low molecular weight (LMW) compounds present in
mushrooms have been identifi ed, including phenolic acids, fl avonoids,
tocopherols, carotenoids, sugars and fatty acids. To evaluate which wild mushroom
LMW compounds may be involved in anti-breast cancer activity the investigators
selected a representative dataset of 43 LMW compounds and performed molecular
docking against three known protein targets involved in breast cancer (aromatase,
estrone sulfatase and 17β-HSD-1) using AutoDock4 as docking software. The
estimated inhibition constants for all LMW compounds were determined, and
the potential structure-activity relationships for the compounds with the best
estimated inhibition constants are discussed for each compound family.
4-O-caffeoylquinic, naringin and lycopene stand out as the top-ranked potential
inhibitors for aromatase, estrone sulfatase and 17β-HSD1, respectively, and
the 3-D docked conformations for these compounds are discussed in detail.