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Pharmacy Information 2024
基于网络药理学和分子对接探讨酸枣仁、夜交藤、柏子仁对失眠的治疗作用
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Abstract:
目的：基于网络药理学探究酸枣仁、夜交藤、柏子仁治疗失眠的作用机制。方法：运用TCMSP、PubChem、TTD和STRING等数据库获取酸枣仁、夜交藤及柏子仁治疗失眠的潜在靶点，构建PPl和“中药–活性成分–靶点”网络图。进行GO富集分析和KEGG通路分析，将核心靶点与药物主要活性成分进行分子对接。结果：筛选出药物重要活性成分有谷甾醇、植物甾醇、槲皮素3-O-阿拉伯糖甙等，药物治疗失眠的核心靶点为PPARG、ESR1、PTGS2。GO分析经筛选得相关条目174条，KEGG分析发现19条信号通路。分子对接结果表明关键活性成分与核心靶点都有较好的亲和力。结论：酸枣仁、夜交藤、柏子仁治疗失眠的作用机制是通过谷甾醇、植物甾醇、槲皮素3-O-阿拉伯糖甙等活性成分作用于PPARG、ESR1、PTGS2等关键靶点，抑制氧化应激、内质网应激、炎症反应，影响细胞周期、细胞凋亡、增殖等生理功能,对失眠症起治疗作用。
Goal: Using network pharmacology as a basis, investigate how sour jujube seed, night cross vine, and cypress seed work to treat insomnia. Method: The databases TCMSP, PubChem, TTD, and STRING were utilized to identify possible targets for the usage of night cross vines, cypress seed kernels, and sour jujube kernels in the treatment of insomnia. Network diagrams for “traditional Chinese medicine active ingredient target” and PPl were created. To establish a connection between the key targets and the primary active components of the medication, KEGG pathway analysis and GO enrichment analysis were conducted. Findings: The drug’s significant active components, including quercetin 3-O-arabinose glycoside, phytosterol, and sitosterol, were examined. The three main goals of pharmacological treatment for insomnia were PTGS2, ESR1, and PPARG.19 signal pathways were discovered by KEGG analysis after GO analysis screened 174 pertinent items. The results of molecular docking show that the main active components and core targets have a good affinity. Conclusion: The active ingredients in sour jujube kernel, night cross vine, and cypress kernel, such as quercetin 3-O-arabinose glycoside, act on key targets like PPARG, ESR1, and PTGS2, inhibiting oxidative stress, endoplasmic reticulum stress, and inflammatory response. They also affect physiological functions like cell cycle, apoptosis, and proliferation. All of these effects are therapeutic for insomnia.
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