Using molecular docking to investigate the anti-breast cancer activity of low molecular weight compounds present on wild mushrooms

摘要: Mushrooms represent an unlimited source of compounds with anti-tumour and immunostimulating properties, their intake has been shown to reduce the risk breast cancer. A large number low molecular weight (LMW) present in mushrooms have identified, including phenolic acids, flavonoids, tocopherols, carotenoids, sugars fatty acids. In order evaluate which wild mushroom LMW may be involved anti-breast cancer activity we selected a representative dataset 43 performed docking against three known protein targets (aromatase, estrone sulfatase 17β-HSD-1) using AutoDock4 as software. The estimated inhibition constants for all were determined, potential structure–activity relationships best are discussed each compound family. 4-O-caffeoylquinic, naringin lycopene stand out top-ranked inhibitors aro...