基于网络药理学预测多基原品种异同性——以茵陈为例

Prediction of Heterogeneity of Multi Parent Varieties Based on Network Pharmacology—Take Artemisiae scopariae Herba as an Example

摘要: 目的：滨蒿和茵陈蒿都是利湿退黄的中药，都作为中药茵陈使用，现代研究表明滨蒿和茵陈蒿均具有抗肝炎作用，但其作用靶点及分子机制是否存在差异，目前尚不明确。方法：通过Batman-TCM及查阅相关文献获取药物的活性化学成分与作用靶点，并建立活性成分与疾病靶点交集的数据集；利用String数据库和DAVID进行富集分析，最后采用分子对接进行验证。结果：得到滨蒿–茵陈蒿–疾病靶点31个。利用David数据库对滨蒿、茵陈蒿的共有靶点进行分析，发现可以对Hepatitis B、TNF signaling pathway等通路进行调控。分子对接结果表明，滨蒿及茵陈蒿中的活性成分与3个关键靶点的对接结果较好。结论：滨蒿、茵陈蒿的抗肝炎作用主要是通过Hepatitis B、TNF signaling pathway等通路进行调控，其抗肝炎作用通路与关键靶点AKT1，IL6，TNF和INS有关。

Abstract: Objective: Artemisia scoparia waldst. et Kit. and A. capillaris Thunb. are both traditional Chinese medicines for diuresis and jaundice, both of which are used as Herba Artemisiae capillaris. Modern studies have shown that both of them have anti hepatitis effects, but whether there are differences in their targets and molecular mechanisms remains unclear. Method: The active chemical components and targets of drugs were obtained by Batman TCM and related literatures, and the data set of the intersection of active components and disease targets was established; String database and David were used for enrichment analysis, and molecular docking was used for verification. Results: 31 targets were obtained. David database was used to analyze the common targets of Artemisia scoparia waldst. et Kit. and A. capillaris Thunb. It was found that the pathways such as Hepatitis B and TNF signaling pathway were regulated. The results of molecular docking showed that the active components of Artemisia scoparia waldst. et Kit. and A. capillaris Thunb. had good docking results with the three key targets. Conclusion: The anti-hepatitis effect of Artemisia scoparia waldst. et Kit. and A. capillaris Thunb. is mainly regulated by the pathways of hepatotis B and TNF signaling pathway. Its anti-hepatitis pathway is related to the key targets AKT1, IL6, TNF and INS.