关键词: 生物信息学, GEO 差异基因, 分子对接, 宫颈癌, 作用机制

Abstract: Objective To investigate the molecular targets and mechanism of ursolic acid in the treatment of cervical cancer by bioinformatics and molecular docking. Methods The potential disease targets of ursolic acid were searched by TCMSP and DrugBank databases. In GeneCards and GEO databases，the disease“cervical cancer”was searched，and the limited species was“Homo sapiens”. Through analysis and screening，the GSE63514 gene expression profile chip data were obtained，and 39 potential targets for the treatment of cervical cancer were obtained by comprehensive screening. The target gene protein interaction network was established by BisoGenet and CytoNCA plugin under Cytoscape3.8.0 software，and the GO and gene-KEGG pathways of drug and disease genes were analyzed. AutoDock was used for molecular docking to predict the binding degree of ursolic acid and the core target of the disease. PyMOL software was used for plotting. Results There were 39 potential targets of ursolic acid in the treatment of cervical cancer，including 1 171 GO functions and 172 KEGG pathways. The main tumor-related signalling pathways were screened out as follows：pathways in cancer，TNF signalling pathway，PI3K-Akt signalling pathway，p53 signalling pathway，apoptosis，etc. Molecular docking of ursolic acid with RELA，JUN，CDKN1A，ICAM1，STAT3 and NFKBIA genes was successfully verified. Conclusion In this study，bioinformatical methods are used to reveal that ursolic acid plays a multi-target and multi-pathway role in anti-cervical cancer by inhibiting tumor cell proliferation，inducing apoptosis，anti-angiogenesis and anti-inflammatory genes and pathways.

Key words: bioinformatics, GEO differential genes, molecular docking, cervical cancer, mechanism