Combining network pharmacology and bioinformatics to identify bioactive compounds and potential mechanisms of action of Sedum aizoon L in the treatment of atherosclerosis

Bo Jie Zhu, G. Nai, Tian Xiao Pan, Zhuo Fei Ma, W. Zhou
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Abstract

Sedum aizoon L (SL) is a medicinal plant containing several active components with anti-inflammatory, hemostatic, and blood pressure lowering effects. The aim of this research was to investigate the main pathways, mechanisms, and active components of SL to treat atherosclerosis (AS) through network pharmacology. The active ingredients and their targets of action were obtained by setting the active ingredient-screening conditions using SL as a keyword in the Traditional Chinese Medicine (TCM) System Pharmacology Database and Analysis Platform. The differentially expressed genes related to AS were obtained from the Gene Expression Omnibus database, and the targets related to the treatment of AS were retrieved from databases, such as DisGeNet and GENECARDs, and the targets of AS and SL were intersected using the Cytoscape software platform and applied to construct a drug–compound–target–pathway network map. Gene ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses, and protein–protein interaction were performed to explore the mechanisms of action of SL against AS. In all, 12 active ingredients were screened from the chemical composition of SL, among which myricetin, oleanolic acid, ursolic acid, sitosterol, and beta-sitosterol were the major active ingredients for the anti-atherosclerotic effect of SL. Combining the active ingredient–target network and disease–target protein–protein interaction (PPI) network, GO and KEGG analysis, tumor necrosis factor signaling pathway, and interleukin-17 signaling pathway were the key pathways of action. SL acts as an anti-atherosclerotic agent through multiple chemical components, targets, and pathways. The active ingredients of SL mainly play the role of prevention and treatment of AS by inhibiting inflammatory response, as an antioxidant, and by lowering blood lipids, thereby providing the theoretical basis for its clinical use.
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结合网络药理学和生物信息学,鉴定景天治疗动脉粥样硬化的活性化合物及其潜在作用机制
景天(Sedum aizoon L, SL)是一种含有多种活性成分的药用植物,具有抗炎、止血和降血压的作用。本研究旨在通过网络药理学探讨SL治疗动脉粥样硬化(AS)的主要途径、机制及有效成分。在中药系统药理学数据库与分析平台中以SL为关键词设置活性成分筛选条件,获得活性成分及其作用靶点。从Gene Expression Omnibus数据库中获取与AS相关的差异表达基因,从DisGeNet、GENECARDs等数据库中检索与AS治疗相关的靶点,利用Cytoscape软件平台将AS和SL的靶点相交,构建药物-化合物-靶点-通路网络图谱。通过基因本体(GO)、京都基因与基因组百科全书(KEGG)分析和蛋白-蛋白相互作用来探讨SL对AS的作用机制。从SL的化学成分中共筛选出12种有效成分,其中杨梅素、齐齐果酸、熊果酸、谷甾醇、β -谷甾醇是SL抗动脉粥样硬化作用的主要有效成分。结合活性成分-靶点网络和疾病靶点蛋白-蛋白相互作用(PPI)网络,GO和KEGG分析,肿瘤坏死因子信号通路和白细胞白素-17信号通路是主要作用途径。SL通过多种化学成分、靶点和途径发挥抗动脉粥样硬化剂的作用。SL的有效成分主要通过抑制炎症反应、抗氧化剂、降低血脂等发挥预防和治疗AS的作用,为其临床应用提供了理论依据。
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