基于网络药理学的白花蛇舌草-半枝莲药对治疗大肠癌的作用机制研究

Mechanism of herb pair contining Hedyotis Diffusa-Scutellaria Barbata on colorectal cancer based on network pharmacology

关键词:  白花蛇舌草  半枝莲  大肠癌  网络药理学

Key words:  Hedyotis Diffusa  Scutellaria Barbata  colorectal cancer  network pharmacology

摘要:

[目的] 探讨白花蛇舌草-半枝莲药对治疗大肠癌的物质基础和作用机制。[方法] 利用中药系统药理学分析平台（TCMSP），通过设置口服利用度（OB）≥ 30%、类药性（DL）≥ 0.18为条件并结合文献筛选出候选化合物，并通过该数据库检索与活性成分相关的作用靶点；通过比较毒物基因组学数据库（CTD）检索出大肠癌相关基因；利用Cytoscape 3.6.1构建成分-靶点网络和成分-靶点-信号通路网络；通过DAVID进行通路注释和分析，预测该药治疗大肠癌的作用机制。[结果] 与结肠癌相关的白花蛇舌草-半枝莲药对成分-靶点-信号通路网络中包含19种成分、33个靶点及25条信号通路。其度值度值前3的候选化合物分子为槲皮素、黄芩素、黄芩苷，度值前3的靶点为蛋白激酶B1（AKT1）、肿瘤抑制蛋白（TP53）、基质金属蛋白酶2（MMP-2），涉及结肠癌、P53信号通路、凋亡等25条信号通路。[结论] 白花蛇舌草-半枝莲中活性成分可作用于AKT1、TP53、MMP-2等靶点，通过调节结肠癌、P53信号通路、凋亡等多条信号通路，协同治疗大肠癌。

Abstract:

[Objective] To investigate the compatibility mechanism and the material basis of colorectal cancer treatment by drug pair containing Hedyotis Diffusa and Scutellaria Barbat.[Methods] All the chemical components and the targets related to Hedyotis Diffusa and Scutellaria Barbat were searched by the traditional Chinese medicine system pharmacology platform (TCMSP),the oral bioavailability (OB) ≥ 30% and drug likeness (DL) ≥ 0.18 were used as the screening conditions for molecular compounds and the comparative Toxicogenomics Database (CTD) were used to screen the genes related to colorectal cancer. The network map construct by Cytoscape 3.6.1 software and the DAVID database for pathway annotation and analysis.[Results] The compounds-targets-pathway network of Hedyotis Diffusa-Scutellaria Barbat related to colorectal cancer contained 19 compounds,33 corresponding targets and 25 signaling pathway. The top three compounds were quercetin,baicalein,wogonin. The top three targets were AKT1,TP53,MMP-2. Related pathways were colorectal cancer,P53 signaling pathway,apoptosis.[Conclusion] The active components of Hedyotis Diffusa-Scutellaria Barbat regulate colorectal cancer,P53 signaling pathway,apoptosis in the treatment of colorectal cancer mainly through AKT1,TP53,MMP-2,MMP-9,and other targets.