Anti-breast Cancer Components and Their Effects in Ginsenoside Derivatives by Computer Simulation

Breast cancer is one of the most commonly diagnosed malignancies in women and is an important cause of cancer death. In this paper, the anti - breast cancer components of ginsenoside derivatives were studied by computer simulation. In this paper, effective components of ginseng were retrieved from TCSMP database, and target genes of active components were obtained from UniPort database. Through molecular docking technology, the key genes differentially expressed in the active components of ginseng and breast cancer were scored by molecular docking to obtain the active components of ginseng with the highest binding degree, and the next cell experiment was conducted for verification. The results of this study show that G_Rh2, a key active component of Chinese herbal medicine ginseng, can inhibit the proliferation, ha migration and invasion of human breast cancer cell lines MDA-MB-231 and MDA-MB-468. This result can provide a molecular basis for the further study of ginseng in the treatment of breast cancer, and also indicates the feasibility of using network pharmacology to connect large-scale target data to discover the mechanism of TCM components interfering with the disease.