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[摘要]
目的 基于網(wǎng)絡藥理學平臺研究注射用益氣復脈(凍干,YQFM)治療心血管疾病的作用機制。方法 在前期研究基礎上結合文獻選出YQFM主要化合物結構母核,通過DRAR-CPI服務器對結構母核進行模擬分子-靶蛋白對接,篩選靶點;對獲取的靶點信息通過KEGG數(shù)據(jù)庫進行注釋,結合文獻對所得通路進行分析;利用Cytoscape 3.6.0軟件,構建上述靶點的“化合物-靶點-通路-網(wǎng)絡”整合模型;闡述YQFM治療心血管疾病的作用機制。結果 本研究共篩選了7個化合物母核:20(S)-原人參三醇、齊墩果酸、2'-羥基異麥冬黃酮A、麥冬黃酮B、麥冬皂苷元、五味子甲素、五味子乙素;主要對應GASP、AKT、INS、AKT、GSK3β、JNK、GSK3β、ERK1、ERK2等127個作用靶點,以及絲裂原活化蛋白激酶(MAPK)、腺苷酸活化蛋白激酶(AMPK)心血管功能及糖脂代謝相關、腫瘤壞死因子(TNF)、雷帕霉素靶蛋白(mTOR)炎癥相關等信號通路。結論 YQFM主要通過心血管保護、炎癥與免疫調節(jié)、以及糖脂代謝干預等多條途徑實現(xiàn)氣陰兩虛證的心血管疾病治療作用。網(wǎng)絡藥理學方法可以簡便、系統(tǒng)地預測YQFM的主要藥效成分的網(wǎng)絡機制,為中醫(yī)藥治療心血管疾病提供研究方向。
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[Abstract]
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.
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