基于数据挖掘和网络药理学分析中药专利治疗肺结节的用药规律及作用机制

Analysis of the Medication Patterns and Mechanisms of Traditional Chinese Medicine Patents for Treating Pulmonary Nodules Based on Data Mining and Network Pharmacology

  • 摘要:
    目的 采用数据挖掘技术和网络药理学方法分析国家专利中用于治疗肺结节的中药配伍用药规律,为肺结节的临床治疗提供参考。
    方法 选取国家知识产权局专利查询系统和中国知网专利数据库中治疗肺结节的中药复方专利数据,运用Excel软件进行组方统计,采用古今医案云平台对中药频次、性味归经、功效类别、关联规则、聚类以及复杂网络分析,筛选出核心药物,并利用网络药理学方法预测治疗肺结节的专利处方的潜在作用靶点及通路。
    结果 共纳入67项治疗肺结节的有效专利,涉及中药276种,累计总频次859次,用药频率排名前5的中药为甘草、黄芪、半夏、莪术、白花蛇舌草;中药以甘温为主,主归肺、肝、脾经,功效以清热、燥湿化痰、利水消肿为主;关联规律分析排名靠前的药对分别为黄芩-半夏、金荞麦-半夏、猫爪草-莪术,当归-白芍、当归-甘草。聚类分析得到3类药物组合,复杂网络分析出最核心的组方药物为黄芩、半夏、黄芪、莪术、浙贝母、金荞麦、白花蛇舌草、猫爪草。网络药理学分析结果显示专利处方治疗肺结节的重要靶点为GAPDH、IL6、TNF等,核心活性成分为黄芩素、苏荠黄酮、去甲汉黄芩素等,主要涉及的作用通路为癌症通路、脂质和动脉硬化、病毒致癌作用等。
    结论 本次纳入中药复方专利符合中医治疗肺结节的病因病机, 其常用药对及聚类处方体现清热解毒、化痰消痞、理气健脾和活血化瘀中药在肺结节治疗中的灵活配伍,其核心药物通过多成分、多靶点、多通路发挥对肺结节的治疗作用。

     

    Abstract:
    OBJECTIVE To analyze the medication patterns of traditional Chinese medicine combinations for the treatment of pulmonary nodules in national patents using data mining and network pharmacology methods, providing a reference for the clinical treatment of pulmonary nodules.
    METHODS Patent data on traditional Chinese medicine compound prescriptions for the treatment of pulmonary nodules were collected from the China National Intellectual Property Administration Patent Inquiry System and the China National Knowledge Infrastructure (CNKI) patent database. Formula statistics were performed using Excel software. The Ancient and Modern Medical Case Cloud Platform was used to conduct high-frequency analysis of traditional Chinese medicine including frequency, properties and flavors, meridian tropism, efficacy categories, association rules, clustering, complex network analysis to screen out core drugs. Network pharmacology was then used to predict potential targets and pathways in patent prescriptions for the treatment of pulmonary nodules.
    RESULTS A total of 67 valid patents for the treatment of pulmonary nodules were included, involving 276 traditional Chinese medicines, with a cumulative total frequency of 859. The top five traditional Chinese medicines in terms of frequency of use were Glycyrrhiza uralensis Fisch, Astragalus membranaceus, Pinellia ternate, Curcuma zedoary and Hedyotis diffusa. These traditional Chinese medicines were primarily sweet and warm in property, primarily targeting the lung, liver, and spleen meridians, and their main effects were clearing heat, drying dampness and resolving phlegm, and promoting diuresis and reducing swelling. Association analysis revealed that the top drug pairs were Scutellaria baicalensis Georgi-Pinellia ternate, Fagopyrum cymosum-Pinellia ternate, Ranunculus ternatus-Curcuma zedoary, Radix Angelicae Sinensis-Radix Paeoniae Alba, and Radix Angelicae Sinensis-Glycyrrhiza uralensis Fisch. Cluster analysis identified three drug combinations, and complex network analysis demonstrated that the core drug components were Scutellaria baicalensis Georgi, Pinellia ternate, Astragalus membranaceus, Curcuma zedoary, Fritillaria thunbergii, Fagopyrum dibotryis, Hedyotis diffusa and Ranunculus ternatus. Network pharmacology analysis showed that the key targets for the treatment of lung nodules with patent prescriptions were GAPDH, IL6, TNF and so on. The core active ingredients were Baicalein, Moslosooflavone, and Norwogonin and so on. The main pathways involved were cancer pathways, lipids and arteriosclerosis, and viral carcinogenesis.
    CONCLUSION The inclusion of traditional Chinese medicine compound patent in this case is consistent with the etiology and pathogenesis of traditional Chinese medicine for treating lung nodules. Commonly used drug pairs and cluster prescriptions reflect the flexible compatibility of traditional Chinese medicines in the treatment of pulmonary nodules, such as clearing away heat and toxic materials, resolving phlegm and eliminating swelling, regulating qi and strengthening spleen, promoting blood circulation and removing blood stasis. The core drugs exert their effects on pulmonary nodules through multiple components, multiple targets and multiple pathways.

     

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