目的 网络药理学角度解释中药复方“消癌解毒方”中君药、臣药的关系以及该方防治肝癌的有效性。方法 依托中药药理分析平台（TCMSP）、国家健康研究院PubChem平台、Swiss Target Prediction平台寻找到复方“消癌解毒方”中君药白花蛇舌草、臣药太子参、山慈菇所对应的靶点，借助DisGeNET数据库、人类孟德尔遗传研究平台OMIN、治疗靶点数据库TTD、PharmGkb数据库找到与肝癌相关的靶点。通过网络映射分析药物-靶点-疾病的关系。利用CCK-8、划痕实验、流式细胞术、western blot等技术检测相关靶点可行度。结果 通过口服生物利用度（OB）>30%，类药性（DL）>0.18的筛选获得有效活性成分13种，药物对应靶点330个，肝癌相关靶点603个。利用生物功能及信号通路分析，消癌解毒方可能参与多种肿瘤发生、细胞凋亡、氧化应激等信号通路。并通过BCL2、CASP8、NCOA2、PTGS2、TGFB1、BAX、CASP3等基因影响肝癌的发生发展。研究显示山慈菇的生物功能富集在淋巴细胞稳态、B细胞稳态、T细胞稳态等相关功能上，太子参富集在了骨髓白细胞分化的正调节、 B细胞稳态、T细胞稳态、白花蛇舌草功能则富集在上皮细胞凋亡过程、平滑肌细胞增殖、受体代谢过程、 RNA聚合酶II转录pri-miRNA、细胞周期等方面。同时通过实验手段验证了网络药理学靶点预测的可行度。结论 从网络药理学、现代生物学角度来评述消癌解毒方中君药、臣药组成是合理、科学的。消癌解毒方防治肿瘤是具有生物学支撑的。
Objective To explain the relationship between "Jun medicine" and "Chen medicine" in the Chinese medicine compound "XIAOAIJIEDU" Decoction from the perspective of network pharmacology and its effectiveness in preventing and treating liver cancer.Methods Relying on the Chinese Pharmacological Analysis Platform (TCMSP), the National Institute of Health PubChem platform, and the Swiss Target Prediction platform, we found the effective active components corresponding to the hybrids of Hedyotis diffusa, Pseudostellariae, and S. chinensis, and their corresponding targets, with the help of DisGeNET. The database, the human Mendelian genetic research platform OMIN, the therapeutic target database TTD, and the PharmGkb database find targets associated with liver cancer. Drug-target-disease relationships were analyzed by network mapping and bioinformatics.Results Through oral bioavailability (OB) > 30% and drug-like (DL) > 0.18 screening, 13 effective active ingredients were obtained, 330 drugs were targeted, and 603 were related to liver cancer. Using biological information and functional pathway analysis, "XIAOAIJIEDU" Decoction may be involved in a variety of tumorigenesis, apoptosis, oxidative stress and other pathways. And through BCL2, CASP8, NCOA2, PTGS2, TGFB1, BAX, CASP3 and other genes affect the occurrence and development of liver cancer. The study also showed that the biological function of P. sinensis was concentrated in lymphocyte homeostasis, B cell homeostasis, T cell homeostasis and other related functions. Pseudostellariae was enriched in the regulation of bone marrow leukocyte differentiation, macrophage differentiation, B Cell homeostasis, T cell homeostasis, functional enrichment of the effective target of Hedyotis diffusa, apoptosis in epithelial cells, smooth muscle cell proliferation, receptor metabolism, RNA polymerase II transcription pri-miRNA, cell cycle, etc.Conclusion From the perspective of network pharmacology and modern biology, the relationship between "Jun medicine" and "Chen medicine" in the Chinese medicine compound "XIAOAIJIEDU" Decoction are reasonable and scientific. The treatment of tumor by "XIAOAIJIEDU" Decoction has biological proof.