Abstract:

Based on the gene expression omnibus(GEO) database, combined with network pharmacology and molecular docking technology, we aimed to conduct reverse network pharmacology research from a molecular level to identify Chinese medicine with anti-hepatocellular carcinoma (HCC) activity. Relevant targets of HCC were acquired from databases including GEO, GeneCards, Online Mendelian Inheritance in Man, and Therapeutic Target Database. The core targets were identified using the String platform, and the core constituents were screened from the TCMIP(integrative pharmacology-based research platform of traditonal Chinese medicine) and TCMID(traditional Chinese medicine integraive database) databases. The core traditional Chinese medicine (TCM) was ultimately selected through the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP). Molecular docking technology and cellular experiments were employed to identify relevant screening results. A total of 398 important targets for HCC were found from the disease target databases, from which 8 core targets, 11 core constituents, and 1 core TCM (Puerariae Lobatae Radix) were further screened. Molecular docking results showed that three core constituents (quercetin, genistein, and coumestrol) from kudzu root could spontaneously bind with some core targets (CDK1 and CDC20), and cell experiments demonstrated that the extract from Puerariae Lobatae Radix could effectively inhibit the proliferation of HepG2 liver cancer cells. This study may provide a reference for the research and development of Puerariae Lobatae Radix and offer a theoretical basis for the discovery of its anti-HCC active ingredients.

Key words: Puerariae Lobatae Radix, antiliver cancer activity, network pharmacology, molecular docking, gene expression omnibus