首页|期刊导航|中西医结合慢性病杂志|天香丹抗动脉粥样硬化的作用机理研究

天香丹抗动脉粥样硬化的作用机理研究OA

Study on the Mechanism of Tianxiangdan Against Atherosclerosis Based on UPLC-MS/MS Combined Network Pharmacology and Molecular Docking Technology

中文摘要英文摘要

目的 基于超高效液相色谱-串联质谱技术(ultra performance liquid chromatography-tandem mass spectrometry,UPLC-MS/MS)、网络药理学及分子对接技术,系统解析天香丹抗动脉粥样硬化(atherosclerosis,AS)的多靶点作用机制.方法 采用UPLC-MS/MS鉴定并定量天香丹的有效活性成分.运用网络药理学方法,通过数据库检索和网络分析,预测天香丹潜在的抗AS靶点,并构建"活性成分-靶点"网络;对天香丹的活性成分与潜在靶点进行分子对接研究,构建并分析靶标蛋白互作网络.结果 UPLC-MS/MS测定天香丹的有效活性成分,得到丹参酮IIA、槲皮素、木犀草素、山柰酚、山柰素、红景天苷、白藜芦醇、香叶木素、柚皮素、儿茶素10种主要有效活性成分.网络药理学预测得到天香丹治疗AS的潜在靶点139个.通过对蛋白-蛋白相互作用网络的拓扑分析,鉴定出10个天香丹治疗AS的关键靶点:肿瘤坏死因子、蛋白激酶B、白细胞介素-6、白细胞介素-1β、胰岛素、前列腺素内过氧化物合酶2、肿瘤蛋白p53、基质金属蛋白酶9、雌激素受体1和丝裂原活化蛋白激酶3.基因本体功能富集分析表明,天香丹可通过多途径调控AS的进程.京都基因与基因组百科全书通路富集分析显示,天香丹可能通过调控Toll样受体信号通路、核因子κB信号通路和NOD样受体信号通路富集等发挥抗AS作用.结论 天香丹抗AS的作用机制具有多靶点、多通路的特点,其机制可能主要通过调节Toll样受体、核因子κB和NOD样受体等关键炎症相关信号通路来实现.

Objective Based on the ultra high performance liquid chromatography tandem mass spectrometry(UPLC-MS/MS),network pharmacology and molecular docking technology,to systematically analyze the multi-target mechanism of Tianxiangdan against atherosclerosis(AS).Methods UPLC-MS/MS was used to determine the effective active ingredients of Tianxiangdan,and the components of Tianxiangdan were qualitatively and quantitatively analyzed by mass spectrometry to obtain mass spectrometry analysis data.Predict potential anti AS targets of Tianxiangdan through database retrieval and network analysis,and construct an active ingredient target network;Conduct molecular docking studies on the active ingredients and potential targets of Tianxiangdan,construct the interaction network between target proteins and genes,and analyze them.Results The effective active ingredients of Tianxiangdan were determined by UPLC-MS/MS,and the active ingredients of tanshinone IIA,quercetin,luteolin,kaempferol,kaempferide,salidroside,resveratrol,diosmetin,naringenin,and catechin were obtained.Network pharmacology predicted 139 potential targets and 10 active ingredients for Tianxiangdan in treating AS.Through topological analysis of protein-protein interaction networks,the following 10 key targets of Tianxiangdan for treating AS were identified:tumor necrosis factor,protein kinase B,interleukin-6,interleukin-1β,insulin,prostaglandin endoperoxide synthase 2,tumor protein p53,matrix metalloproteinase 9,estrogen receptor 1,and mitogen activated protein kinase 3.Gene ontology enrichment analysis shows that Tianxiangdan can regulate the occurrence and development process of AS through multiple pathways.Kyoto Encyclopedia of Genes and Genomes pathway analysis shows that Tianxiangdan may exert anti AS effects by regulating multiple metabolic pathways such as Toll like receptor signaling pathway,nuclear factor kappa B signaling pathway,and NOD like receptor signaling pathway.Conclusion The mechanism of action of Tianxiangdan against AS has the characteristics of multi-target and multi pathway.It mainly achieves therapeutic effects by regulating key inflammation related pathways such as Toll like receptor signaling pathway,nuclear factor kappa B signaling pathway,and NOD like receptor signaling pathway.

孙龙飞;安冬青;郭龙龙;吴嘉瑞;龙霖梓;张保俭;张丽;张夏夏;古丽加玛力·尼亚孜;姜述斌

新疆医科大学附属中医医院,新疆 乌鲁木齐 830000新疆医科大学,新疆 乌鲁木齐 830054新疆名医名方与特色方剂学重点实验室,新疆 乌鲁木齐 830000新疆医科大学附属中医医院,新疆 乌鲁木齐 830000新疆医科大学,新疆 乌鲁木齐 830054新疆名医名方与特色方剂学重点实验室,新疆 乌鲁木齐 830000新疆医科大学,新疆 乌鲁木齐 830054北京中医药大学,北京 100029中国中医科学院西苑医院,北京 100089新疆医科大学附属中医医院,新疆 乌鲁木齐 830000

医药卫生

天香丹动脉粥样硬化作用机制

Tianxiangdanatherosclerosismechanism of action

《中西医结合慢性病杂志》 2026 (1)

23-32,10

国家自然科学基金(82274480)国家四大慢病重大专项(2024ZD0528300)新疆维吾尔自治区重点实验室开放课题项目(2023D04052)新疆维吾尔自治区自然科学基金面上项目(2024D01C123)新疆维吾尔自治区重大科技专项项目(2022A03019)

10.26950/j.issn.2097-5031.2026.01.004

评论