基于网络药理学的注射用益气复脉(冻干)作用机制研究

目的 基于网络药理学平台研究注射用益气复脉（冻干,YQFM）治疗心血管疾病的作用机制。方法 在前期研究基础上结合文献选出YQFM主要化合物结构母核,通过DRAR-CPI服务器对结构母核进行模拟分子-靶蛋白对接,筛选靶点;对获取的靶点信息通过KEGG数据库进行注释,结合文献对所得通路进行分析;利用Cytoscape 3.6.0软件,构建上述靶点的“化合物-靶点-通路-网络”整合模型;阐述YQFM治疗心血管疾病的作用机制。结果 本研究共筛选了7个化合物母核：20（S）-原人参三醇、齐墩果酸、2''-羟基异麦冬黄酮A、麦冬黄酮B、麦冬皂苷元、五味子甲素、五味子乙素;主要对应GASP、AKT、INS、AKT、GSK3β、JNK、GSK3β、ERK1、ERK2等127个作用靶点,以及丝裂原活化蛋白激酶（MAPK）、腺苷酸活化蛋白激酶（AMPK）心血管功能及糖脂代谢相关、肿瘤坏死因子（TNF）、雷帕霉素靶蛋白（mTOR）炎症相关等信号通路。结论 YQFM主要通过心血管保护、炎症与免疫调节、以及糖脂代谢干预等多条途径实现气阴两虚证的心血管疾病治疗作用。网络药理学方法可以简便、系统地预测YQFM的主要药效成分的网络机制,为中医药治疗心血管疾病提供研究方向。

Research on mechanism of Yiqi Fumai Lyophilized Injection based on network pharmacology

Objective To study the mechanism of Yiqi Fumai Lyophilized Injection (YQFM) in the treatment of cardiovascular diseases based on the network pharmacology platform. Methods Based on the preliminary studies and related literature, the structural core of YQFM main compound was selected, and the molecular target protein docking was simulated by DRAR-CPI server to screen target. The obtained information of target was annotated by the KEGG database, and the access path was analyzed in combination with references. Cytoscape 3.6.0 software were used to construct the "compound-target-channe-network" integration model of the target, and the mechanism of YQFM in the treatment of cardiovascular disease was also be elaborated. Results A total of seven compounds were screened:20 (s) -protopanaxatriol, oleanolic acid, 2''-hydroxyl isoophio pogonone A, ophiopogon B, Ophiogenin, schisandrin A, and schisandrin B, mainly corresponding to 127 target points, such as GASP, AKT, INS, AKT, GSK3 beta, JNK, GSK3 beta, ERK1, ERK2, etc, as well as MAPK, AMPK related cardiovascular function and glycolipid metabolic pathway, TNF, mTOR related inflammatory signaling pathway, etc. Conclusion YQFM achieves the regulation of QiYinLiangXu symptom and other cardiovascular disease treatment mainly through the cardiovascular protection, inflammation and immune regulation, glucose-lipid metabolism intervention and other pathways. The network pharmacological method can be used to predict the network mechanism of the main active ingredients of YQFM conveniently and systematically, and provide a research direction for the treatment of cardiovascular diseases by traditional Chinese medicine.