密银花发挥不同功效的质量标志物预测研究OACHSSCD
Prediction of Quality Markers for Different Efficacies of Lonicerae Japonicae Flos
密银花为忍冬科植物忍冬Lonicera japonica Thunb.的干燥花蕾或带初开的花,是著名的道地药材.其化学成分多样,主要包括有机酸类、黄酮类、环烯醚萜类以及三萜类等化合物.本研究在综合分析密银花化学成分的基础上,基于化学结构的相似性,成功预测出密银花作用靶点299个.通过疾病富集分析,筛选出与密银花高度相关的20种疾病,并将这些疾病分类与密银花在中医中的主治疾病进行映射对比,进一步利用网络拓扑模型分析预测密银花不同的主治疾病所对应的质量标志物.研究结果显示,木犀草素、咖啡酸、7-表-马钱苷为密银花治疗痈肿疔疮和丹毒的候选质量标志物;绿原酸异构体组合物(绿原酸、新绿原酸、隐绿原酸、隐绿原酸B、隐绿原酸C)、木犀草素、咖啡酸、木犀草苷、7-表-马钱苷为密银花治疗热毒血痢和风热感冒的候选质量标志物;绿原酸异构体组合物、木犀草素、咖啡酸、木犀草苷为密银花治疗喉痹的候选质量标志物;木犀草苷、常春藤皂苷元、咖啡酸、芦丁、金丝桃苷、木犀草素为密银花治疗温病发热的候选质量标志物.本研究旨在为道地药材密银花后续的精准质量控制与深入开发提供理论基础.
Lonicerae Japonicae Flos is the dry flower bud or early-blooming flower of Lonicera japonica Thunb.,a renowned Dao-di medicinal material.It contains diverse chemical constituents,primarily including organic acids,flavonoids,iridoids,and triterpe-noids.In this study,based on a comprehensive analysis of its chemical components and using chemical structure similarity,299 po-tential targets of Lonicerae Japonicae Flos were successfully predicted.Disease enrichment analysis identified the top 20 diseases highly related to Lonicerae Japonicae Flos,which were then mapped to its traditional Chinese medicine(TCM)indications.A net-work topology model was further applied to analyze and predict candidate quality markers(Q-markers)corresponding to different TCM diseases treated with Lonicerae Japonicae Flos.The results showed that luteolin,caffeic acid,and 7-epi-loganin were candidate Q-markers for treating carbuncle,furuncle,and erysipelas.Chlorogenic acid isomer combinations(chlorogenic acid,neochlorogenic acid,cryptochlorogenic acid,isochlorogenic acid B,and isochlorogenic acid C),luteolin,caffeic acid,luteoloside,and 7-epi-loganin were candidate Q-Markers for treating dysentery caused by noxious heat and wind-heat cold.Chlorogenic acid isomer combinations,luteolin,caffeic acid,and luteoloside were candidate Q-markers for treating pharyngitis,while luteoloside,hederagenin,caffeic acid,rutin,hyperin,and luteolin were candidate Q-markers for treating epidemic febrile disease.This study provides a theoretical basis for the precise quality control and further development of the Dao-di medicinal material Lonicerae Japonicae Flos.
刘方舟;杨阳;李萌;杜昱;李逸豪;时宇静;邹佳忱;李园白
中国中医科学院中医药信息研究所,北京,100700中国中医科学院中医药信息研究所,北京,100700中国中医科学院中医药信息研究所,北京,100700中国中医科学院中医药信息研究所,北京,100700中国中医科学院中医药信息研究所,北京,100700中国中医科学院中药研究所,北京,100700北京市和平里医院,北京,100013中国中医科学院中医药信息研究所,北京,100700
医药卫生
密银花道地药材质量标志物质量控制中医主治化学结构相似性网络拓扑模型
Lonicerae Japonicae FlosDao-di herbQuality markerQuality controlIndications of traditional Chinese medicineChemical structure similarityNetwork topological model
《世界中医药》 2026 (3)
361-367,7
国家自然科学基金青年科学基金项目(82204780)中国中医科学院优秀青年科技人才培养专项(ZZ15-YQ-052)中国中医科学院实验室项目(ZZSYS-1902-01CZ).
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