山西大学学报（自然科学版）2025，Vol.48Issue(2)：278-288,11.DOI:10.13451/j.sxu.ns.2024175
基于生物信息学与实验验证的柴胡-白芍抗乳腺癌机制研究
The Mechanism of Chaihu-Baishao Herb Against Breast Cancer Based on Bioinformatics and Experimental Verification
摘要
Abstract
The anti-breast cancer compatibility mechanism of Chaihu-Baishao herb pair was predicted and verified by combining bio-informatics,network pharmacology and experimental methods.The breast cancer gene expression data from the Cancer Genome At-las(TCGA)database were obtained,and breast cancer targets were screened.The ingredients and targets were collected through the TCMSP(Traditional Chinese Medicine Systems Pharmacology Database)database,SEA(Similarity Ensemble Approach)database,Swiss Target Prediction database and Super PRED databases,and the targets were enriched by Kyoto Encyclopedia of Genes and Ge-nomes(KEGG)pathway analysis.Protein-protein interaction(PPI)network and component-target(C-T)network were used to select key breast cancer targets,including Polo-like kinase 1 and cyclin dependent kinase 1,and the key anti-breast cancer components of Chaihu-Baishao herb pair,including saikosaponin A,saikosaponin B2,saikosaponin D and paeoniflorin.The key components and targets PLK1(Polo-like kinase 1)and CDK1(cyclin dependent kinase 1)were molecularly docked and verified by Autodock software,and the anti-breast cancer activity of the key components was verified by cell experiments.The Chou-Talalay model was used to prove the synergistic effect between saikosaponin D and paeoniflorin.Flow cytometry and Western blot experiments proved that saikosaponin D and paeoniflorin could inhibit the breast cancer by blocking the cell cycle at the G2/M phase.关键词
生物信息学/网络药理学/柴胡/白芍/乳腺癌Key words
bioinformatics/network pharmacology/Chaihu/Baishao/breast cancer分类
中医学引用本文复制引用
鲍宁,李肖..基于生物信息学与实验验证的柴胡-白芍抗乳腺癌机制研究[J].山西大学学报（自然科学版）,2025,48(2):278-288,11.基金项目
国家自然科学基金(82204656) （82204656）
中国博士后科学基金特别资助(2024T173534) （2024T173534）
