中药经典方剂活络消灵丸临床治疗与中医“同法异病”理论的机理探讨:网络药理学研究与分子对接验证

IF 4.3 3区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE World Journal of Traditional Chinese Medicine Pub Date : 2022-01-01 DOI:10.4103/2311-8571.336838
Yu-Xin Hu, Zhi-Qing Zhang, Qin Zhou, Junyao Liao, Xinyi Chai
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引用次数: 1

摘要

目的:分析活络消灵丸治疗高血糖、高脂血症、代谢综合征三种疾病的可能机制,为学习中医理论中“同病同治”的机理提供思路。材料与方法:利用中药系统药理学数据库和UniProt数据库对活血消灵丸的主要成分和作用靶点进行筛选。GeneCards数据库用于筛选疾病的靶点,Cytoscape 3.7.2用于构建“药物成分-靶点-疾病”网络以确定核心成分。使用STRING数据库构建蛋白质-蛋白质相互作用网络,并在Metascape数据库上进行基因本体论(GO)和京都基因和基因组学百科全书富集分析。AutoDock 1.5.6用于分子对接。结果:共筛选出活络消灵丸中的118个有效成分和208个靶点。槲皮素、丹参酮IIA、木犀草素和鞣花酸是活血消灵丸治疗三种疾病的潜在核心成分,白细胞介素6、肿瘤坏死因子和血管内皮生长因子是潜在的关键靶点。共发生的GO生物学过程涉及对细菌来源分子的反应,AGE-RAGE信号传导、流体剪切应力和动脉粥样硬化途径是共发生的途径。分子对接揭示了筛选的靶标和组分之间良好的对接条件。结论:本研究预测了活血消灵丸治疗上述三种疾病的作用机制。同时,这三种疾病共同发生的靶点和途径为中医理论“同治不同病”提供了物质基础
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Mechanism exploration of the classical traditional chinese medicine formula huoluo xiaoling pill in clinical treatment and the traditional chinese medicine theory “treating different diseases with the same method”: A network pharmacology study and molecular docking verification
Objective: To analyze the possible mechanism of the Huoluo Xiaoling Pill in the treatment of three diseases, hyperglycemia, hyperlipidemia, and metabolic syndrome, and to provide ideas for learning the mechanism of “Treating different diseases with the same method” in Traditional Chinese Medicine (TCM) theory. Materials and Methods: The Traditional Chinese Medicine System Pharmacology Database and UniProt databases were used to screen the main ingredients and targets of the Huoluo Xiaoling Pill. The GeneCards database was used to screen the targets of the diseases, and Cytoscape 3.7.2 was used to construct a “Drug-Components-Targets-Disease” network to determine the core components. The STRING database was used to construct the protein-protein-interaction network, and gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomics enrichment analyses were carried out on the Metascape database. AutoDock 1.5.6 was used for molecular docking. Results: A total of 118 active components and 208 targets were screened in the Huoluo Xiaoling Pill. Quercetin, tanshinone IIA, luteolin, and ellagic acid were potential core components of Huoluo Xiaoling Pill treating the three diseases, and interleukin 6, Tumor necrosis factor, and vascular endothelial growth factor were potential key targets. Co-occurring GO biological processes involved responses to the molecules of bacterial origin, and the AGE-RAGE signaling, fluid shear stress, and atherosclerosis pathways were the co-occurring pathways. Molecular docking revealed good docking conditions between screened targets and components. Conclusion: This study predicted the mechanism of the Huoluo Xiaoling Pill in treating the three diseases. At the same time, the co-occurring targets and pathways between the three diseases provided a material basis for the TCM theory, “Treating different diseases with the same method.”
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来源期刊
World Journal of Traditional Chinese Medicine
World Journal of Traditional Chinese Medicine Medicine-Complementary and Alternative Medicine
CiteScore
5.40
自引率
2.30%
发文量
259
审稿时长
24 weeks
期刊最新文献
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