【摘要】 利用网络药理学及分子对接预测益气温阳活血利水中药组分配伍防治慢性心力衰竭(chronic heart failure)潜在靶向作用机制。通过文献检索及课题组前期经验，确定黄芪、桂枝、丹参、葶苈子四味益气温阳活血利水代表药物。采用TCMSP、BATMAN-TCM平台筛选四种药物的活性成分并预测相关作用靶点；利用GeneCards、OMIM、TTD数据库筛选CHF相关靶点；通过String数据库构建蛋白互作PPI网络；利用DAVID数据库进行GO分析和KEGG通路分析；通过Cytoscape 3.8.0软件构建网络关系图；通过Autodock vina进行分子对接。共收集得到化合物21个，CHF靶点共10 759个，其中黄芪总皂苷、丹参总酚酸、葶苈子水提物及桂皮醛与疾病的交集靶点分别为75、56、163、27个，根据degree值筛选核心靶点40个；GO分析和KEGG通路分析分别将排名靠前的条目可视化；分子对接结果显示四种中药活性成分与核心靶点结合能稳定。动物实验结果显示，组分配伍能改善心功能，降低血浆中B型钠尿肽前体(NT-proBNP)、心肌肌钙蛋白I(cTnI)、升高血清中超氧化物歧化酶(SOD)、降低丙二醛(MDA),改善心肌细胞凋亡。本研究初步揭示了黄芪总皂苷、丹参总酚酸、桂皮醛与葶苈子水提物组分配伍多成分、多靶点、多途径治疗CHF的机制，作用机制可能与细胞凋亡、氧化应激、炎症反应及能量代谢有关。更多还原

【Abstract】 Network pharmacology and molecular docking were used to predict the potential targeting mechanism of invigorating qi, warming yang, promoting blood circulation and inducing diuresis in the combination of traditional Chinese medicine components for the prevention and treatment of chronic heart failure(CHF).Through literature retrieval and preliminary experience of the research group, Astragali Radix, Cinnamomi Ramulus, Salviae Miltiorrhizae Radix, Lepidii Semen were identified as four representative drugs for invigorating qi, warming yang, promoting blood circulation and inducing diuresis.TCMSP and Batman-TCM platforms were used to screen the active ingredients of the four drugs and predict the relevant targets of action targets; CHF-related targets were screened by GeneCards, OMIM and TTD databases; Protein interaction PPI network was constructed by String database; GO analysis and KEGG pathway analysis were performed using DAVID database; Cytoscape 3.8.0 software was used to construct the network diagram; Molecular docking was performed by Autodock Vina.A total of 21 compounds and 10 759 CHF targets were collected, including 75,56,163,27 intersection targets of Astragalus saponins, total salvianolic acid, aqueous extract from Lepidii Semen, cinnamaldehyde with disease, and 40 core targets were screened according to degree value; GO analysis and KEGG pathway analysis visualized the top items respectively; molecular docking results showed that the four The molecular docking results showed that the active ingredients of the Chinese medicines could bind to the core targets stably.The results of animal experiments showed that the component compatibility could improve cardiac function, reduce B type natriuretic peptide precursor(NT-proBNP) and cardiac troponin I(cTnI) in plasma, increase superoxide dismutase(SOD) in serum, decrease malondialdehyde(MDA),and improve cardiomyocyte apoptosis.This study reveals the mechanism of multi-component, multi-target, multi-pathway therapy for CHF combined with Astragalus saponins, total salvianolic acid, cinnamaldehyde and aqueous extract from Lepidii Semen, which may be related to apoptosis, oxidative stress, inflammatory response and energy metabolism.更多还原