Guizhou University Medical College, Guiyang, Guizhou, PR China.
Medicine (Baltimore). 2024 Oct 18;103(42):e40073. doi: 10.1097/MD.0000000000040073.
Myocardial infarction (MI) is one of the leading causes of death worldwide because of its high morbidity and mortality. Traditional Chinese Medicine compounds play a crucial role in preventing cardiovascular diseases. Danggui Sini Decoction (DSD) is widely used clinically for cardiovascular diseases. However, the mechanism, main components, and main targets of DSD in treating MI are still unclear. In this study, we utilized network pharmacology and molecular docking for exploration. MI-related genes were examined using the Genecards database, and the active ingredients of DSD were screened based on System Pharmacology Database and Analysis Platform of Traditional Chinese Medicine by oral bioavailability ≥ 30% and drug-likeness ≥ 0.18. The protein-protein interaction network diagram was generated using the STRING database. The DAVID web platform was used to carry out gene ontology and Kyoto encyclopedia of gene and genome signaling pathway analysis. DSD's screening study revealed 120 primary active ingredients and 561 putative active target genes. The main therapeutic targets were TP53, EGFR, AKT1, IL6, TNF, STAT3, IL1B, CTNNB1, SRC, MYC, JUN, and INS. Gene ontology and Kyoto encyclopedia of gene and genome analyses revealed that DSD treatment of MI mainly involves the positive regulation of the ERK1 and ERK2 cascades, positive regulation of cell proliferation, inflammatory responses, aging, and the MAPK cascade, along with other biological processes. The molecular docking results indicate that DSD drugs may interact with AKT1, EGFR, TP53, and TNF through formononetin, isorhamnetin, β-Sitosterol, and kaempferol, potentially contributing to the treatment of MI. By utilizing a multi-component, multi-pathway, and multi-target mode of action, DSD may have the potential to prevent MI.
心肌梗死（MI）是全球范围内导致死亡的主要原因之一，因为它具有高发病率和死亡率。中药复方在预防心血管疾病方面发挥着关键作用。当归四逆汤（DSD）广泛应用于心血管疾病的临床治疗。然而，DSD 治疗 MI 的机制、主要成分和主要靶点仍不清楚。在这项研究中，我们利用网络药理学和分子对接进行了探索。使用 Genecards 数据库检查了与 MI 相关的基因，根据口服生物利用度≥30%和药物相似性≥0.18，筛选了 DSD 的活性成分基于中药系统药理学数据库和分析平台。使用 STRING 数据库生成蛋白质-蛋白质相互作用网络图。DAVID 网络平台用于进行基因本体和京都基因与基因组百科全书信号通路分析。DSD 的筛选研究揭示了 120 种主要活性成分和 561 个潜在活性靶基因。主要治疗靶点是 TP53、EGFR、AKT1、IL6、TNF、STAT3、IL1B、CTNNB1、SRC、MYC、JUN 和 INS。基因本体和京都基因与基因组百科全书分析表明，DSD 治疗 MI 主要涉及 ERK1 和 ERK2 级联的正调控、细胞增殖、炎症反应、衰老和 MAPK 级联的正调控以及其他生物过程。分子对接结果表明，DSD 药物可能通过芒柄花素、异鼠李素、β-谷甾醇和山奈酚与 AKT1、EGFR、TP53 和 TNF 相互作用，可能有助于治疗 MI。DSD 可能通过多成分、多途径和多靶点的作用模式，具有预防 MI 的潜力。
