Screening in silico the human epidermal growth factor receptor-2inhibitory effect of isoflavones by molecular docking method for their potential use in breast cancer

Isoflavones are secondary phenolic metabolites found in most legumes. These compounds have important pharmacological significance such as anti-osteoporosis, anti-aging, and anti-cancer properties. Breast cancer is one of the common cancers women worldwide. Human epidermal growth factor receptor-2 (HER2) an target breast treatment. In this study, we evaluated ability sixty isoflavones to inhibit HER2 enzyme for their potential use treatments by molecular docking method. Molecular was done Autodock vina software. Lipinski 5 rule used compare with drug-like non-drug-like Pharmacokinetic parameters were using pkCSM tool. Our results showed that 35 inhibited stronger than positive control. Next, analysed drug-likeness according Lipinski’s five predicted pharmacokinetic-toxicological these compounds. We obtained two compounds, genistein biochanin A, which could become promising drugs However, vitro vivo studies on inhibition need be conducted.