[关键词]
[摘要]
目的 分析国家专利中含百合改善睡眠复方的用药规律,并探讨核心药对的作用机制。方法 通过国家知识产权政务服务平台检索含百合改善睡眠复方的数据资料,采用Excel、IBM SPSS modeler18.0和SPSS statistics 26.0软件对配伍中药性味归经、功效、关联规则及聚类分析等进行数据挖掘,并通过网络药理学和分子对接技术分析核心药对改善睡眠的潜在机制。结果 共纳入专利366项,包含366首处方,出现频次≥5的中药112味。其中使用频次较高的中药依次为百合、酸枣仁、茯苓等,性味以平、温、甘、苦居多,主要归心、肺、脾经,功效以补虚、清热、安神为主。关联规则分析得到18条药对,其中百合-酸枣仁药对的关联性最强。聚类分析得到5个聚类方。网络药理学分析得到核心药对百合-酸枣仁改善睡眠的主要活性成分有16种,交集靶点108个,涉及信号通路63条。分子对接结果表明26-O-β-D-吡喃葡萄糖基-3β,26-二羟基-胆甾烷-16,22-二氧基-3-O-α-L-鼠李糖基-(1→2)-β-D-吡喃葡萄糖苷与MAOB、β-谷甾醇与HTP2A、豆甾醇与DRD2、豆甾醇与HTR2C、酸枣仁皂苷A与CYP3A4、植物固醇与PTGS2靶点之间具有强烈的结合活性。结论 含百合改善睡眠复方多以补虚、安神、收涩药为主,药性以平、温为主,味甘、苦,归心、肺、脾经。含百合改善睡眠复方常与酸枣仁、茯苓、枸杞子配伍。其核心药对百合-酸枣仁通过多成分-多靶点-多通路发挥改善睡眠的作用。
[Key word]
[Abstract]
Objective To analyze the medication rules of Compound Formula contained Lilii Bulbus in improving sleep in national patents, and to explore the mechanism of action of core drug pairs. Methods The data of Lilii Bulbus improving sleep were retrieved through the national intellectual property government service platform. Excel, IBM SPSS modeler18.0 and SPSS statistics 26.0 software were used to conduct data mining on the properties, tastes, meridian tropism, efficacy, association rules and cluster analysis of compatible traditional Chinese medicine. The potential mechanism of core drug pairs to improve sleep was analyzed by network pharmacology and molecular docking technology. Results A total of 366 patents were included, including 366 prescriptions and 112 traditional Chinese medicines with a frequency of ≥ 5. Among them, the most frequently used Chinese medicines are Lilii Bulbus, Ziziphi Spinosae Semen, Poria, etc. The nature and taste are mostly flat, warm, sweet, and bitter. They mainly belong to the heart, lung, and spleen meridians. The efficacy is mainly tonic, heat-clearing, and tranquilizing. Eighteen drug pairs were obtained by association rule analysis, among which the correlation between Lilii Bulbus-Ziziphi Spinosae Semen drug pair was the strongest. Five clusters were obtained by cluster analysis. Network pharmacology analysis showed that there were 16 main active components of the core drug pair Lilii Bulbus-Zizphi Spinosae Semen to improve sleep, 108 intersection targets, and 63 signaling pathways. Molecular docking results showed that 26-O-β-D-glucopyranosyl-3β,26-dihydroxy-choleslen-16,22-dioxo-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside had a high binding affinity to MAOB, β-sitosterol to HTP2A, leguminol to DRD2, HTR2C, jujube saponin A to CYP3A4, and phytosterols to the PTGS2 targets with strong binding activity. Conclusion Containing Lilii Bulbus to improve sleep compound formula is mostly to supplement the deficiency, tranquilize the spirit, astringent drugs, medicinal properties to flat, warm, taste sweet, bitter, attributed to the heart, lungs, spleen meridian. Lilii Bulbus is often paired with sour Ziziphi Spinosae Semen, Poria and Lycium barbarum. The core medicines of Lilii Bulbus of the valley and jujube seed can improve sleep through multicomponents, multi-targets and multi-pathways.
[中图分类号]
R285.5
[基金项目]
国家现代农业产业技术体系资助项目(CARS-21);甘肃省科技重大专项(23ZDFA013-1);中药保障与创新能力提升项目(甘中医药综函〔2024〕14号);甘肃省研究生“创新之星”项目(2025CXZX-935)