摘要
Objective:To systematically investigate the main active components,targets,target-related diseases and action mechanism of Yiyi Fuzi Baijiang powder(YFBP)of Zhang Zhongjing,a Chinese physician of Eastern Han Dynasty of China(3 century A.D.)using the method of network pharmacology.Methods:The active components of YFBP were identified from several databases(TCMSP,TCM Database@Taiwan and TCMID).The potential active compounds were screened based on oral bioavailability and drug-like index in the TCMSP database.DrugBank,TCMSP,and TCMID database searches were performed to predict target-related diseases.Biological functions and KEGG pathway outcomes of all potential targets were analyzed using the DAVID database.Results:A total of 24 active compounds of YFBP,133 related targets,and 305 potential related diseases were obtained.These results showed that YFBP may treat inflammation,pain,and cancer.The functional enrichment analysis indicated that YFBP probably exerts its therapeutic effects by regulating neuroactive ligand-receptor interactions,the TNF signaling pathway,and the PI3K-Akt signaling pathway.Conclusion:This study provides preliminary confirmation that YFBP has the great potentials to treat inflammation,pain,and tumors,which supports Zhang Zhongjing’s original intention to treat intestinal carbuncle with ancient prescription YFBP,but also provides a scientific basis for its treatment in the malignant tumors.
目的:运用网络药理学的方法筛选中国东汉医学大家张仲景的薏苡附子败酱散的主要有效成分,预测其有效成分的作用靶点及靶点相关疾病;探讨其通过“多成分-多靶点-多通路”效应模型治疗相关疾病的作用机制。方法:通过中药化学成分数据库及文献,检索薏苡附子败酱散的化学成分,并依据TCMSP数据库的口服生物利用度和类药性指数筛选出主要有效成分。其后基于Drugbank和TCMSP数据库筛选出所有有效成分的作用靶点,利用TCMSP和TCMID数据库预测靶点相关的疾病种类,并依据国际疾病分类编码ICD-10分类。利用Cytoscape软件构建薏苡附子败酱散的主要有效成分-靶点-疾病网络图,分析其网络拓扑结构,并通过DAVID数据库对该方所涵盖的所有靶点进行生物学功能和KEGG通路进行分析。结果:本研究共筛选出薏苡附子败酱散有效成分24种,相关靶点133个,相关疾病305种,炎症、疼痛和肿瘤是其治疗的主要疾病,并可调节神经活性的配体-受体相互作用、TNF信号通路、PI3K-Akt信号通路等发挥治疗肠痈和肿瘤的作用。结论:本研究初步证实了炎症、疼痛和肿瘤是薏苡附子败酱散治疗的主要疾病,该结果不仅证实了张仲景使用薏苡附子败酱散治疗肠痈的初衷,更为该古方可能用于治疗恶性肿瘤提供科学依据。
基金
This research is supported by National Natural Science Foundation of China(81603434),Shanghai Natural Science Foundation Project(17ZR1438800)and Shanghai Health Planning Commission Project(ZY3-RCPY-1-1001,zybz-2017029).
