摘要
目的基于数据挖掘分析含柴胡经典方剂的配伍规律,并阐明“柴胡劫肝阴”和配伍高频药物对柴胡“解毒存效”的分子机制,为其临床应用及新药研发提供思路。方法通过药智数据库、中国期刊全文数据库(CNKI)、万方数据库(Wanfang)和中文科技期刊全文数据库(VIP)对含柴胡方剂进行检索,运用Excel 2019、IBM SPSS Modeler18.0和IBM SPSS26.0软件进行频数分析和聚类分析。利用网络毒理学对“柴胡劫肝阴”的毒性成分、毒性靶点和调控网络进行分析。通过网络药理学构建高频配伍中药和柴胡肝毒性成分-靶点网络图。结果共筛选82首含柴胡方剂涉及205味中药,共897频次,关联规则分析得到13组关联规则。网络毒理学结果显示,柴胡皂苷和挥发油作为柴胡潜在的毒性成分,得到柴胡潜在毒性靶标298个,肝毒性靶点198个,柴胡致肝毒性潜在靶点20个,相关信号通路61条。网络药理学结果显示甘草和柴胡肝毒性共有靶点5个、通路17条,白芍和柴胡肝毒性共有靶点9个、通路49条,当归和柴胡肝毒性共有靶点2个、通路38条,黄芩和柴胡肝毒性共有靶点5个、通路33条。结论柴胡分别与甘草、白芍、当归、黄芩配伍关联程度强,甘草、白芍、当归、黄芩具有多成分拮抗柴胡肝毒性的作用,前列腺素内过氧化物合酶2(prostaglandin-endoperoxide synthase 2,PTGS2)可能是潜在的拮抗靶点,为指导含柴胡方剂临床合理应用提供依据。
Objective To analyze the compatibility rules of classical prescriptions containing Chaihu(Bupleuri Radix)and elucidate the molecular mechanism of“Bupleuri Radix decreaseing liver’s yin essence”and the compatible high frequency drugs to“detoxification and efficacy”of Bupleuri Radix based on data mining technology,providing the idea for clinical application and new drug research and development.Methods The prescriptions of Bupleuri Radix were searched through the databases of Yao Zh,CNKI,Wanfang,and VIP using Excel 2019 and IBM SPSS Modeler 18.0 and IBM SPSS 26.0 software for frequency analysis and cluster analysis.The toxic components,toxic targets and regulatory network of“Bupleuri Radix decreaseing liver’s yin essence”were analyzed by network toxicology.The hepatotoxicity components-target network diagram of high-frequency compatible traditional Chinese medicine(TCM)and Bupleuri Radix was constructed through network pharmacology.Results A total of 82 prescriptions containing Bupleuri Radix were screened,involving 205 TCMs with 897 frequency,and 13 sets of association rules were obtained by association rule analysis.The results of network toxicology showed that saponins and volatile oil in Bupleuri Radix were the potential toxicity components;298 potential toxicity targets,198 hepatotoxicity targets,20 potential hepatotoxicity,and 61 related signal pathways were obtained.The results of network pharmacology also showed that there were five targets and 17 pathways for hepatotoxicity of Gancao(Glycyrrhizae Radix et Rhizoma),nine targets and 49 pathways for hepatotoxicity of Baishao(Paeoniae Radix Alba)and Bupleuri Radix,two targets and 38 pathways for hepatotoxicity of Danggui(Angelicae Sinensis Radix)and Bupleuri Radix,five targets and 33 pathways for hepatotoxicity of Scutellariae Radix and Bupleuri Radix.Conclusion Bupleuri Radix was strongly associated with Glycyrrhizae Radix et Rhizoma,Paeoniae Radix Alba,Angelicae Sinensis Radix and Scutellariae Radix respectively.They have the antagonistic effect against Bupleuri Radix hepatotoxicity.Prostaglandin-endoperoxide synthase 2(PTGS2)may be a potential antagonistic target,providing a basis for guiding the rational clinical application of prescriptions containing Bupleuri Radix.
作者
刘青松
李微
张怡
陈双兰
谢子妍
李斌
LIU Qing-song;LI Wei;ZHANG Yi;CHEN Shuang-lan;XIE Zi-yan;LI Bin(Hospital of Chengdu University of Traditional Chinese Medicine,Chengdu 610075,China)
出处
《中草药》
CAS
CSCD
北大核心
2022年第14期4428-4436,共9页
Chinese Traditional and Herbal Drugs
基金
国家自然科学基金面上项目(82174345)
四川省科技计划项目(2021YJ0435)。
关键词
柴胡
数据挖掘
网络药理学
柴胡劫肝阴
相杀配伍
中药毒性
甘草
白芍
当归
黄芩
柴胡皂苷
Bupleuri Radix
data mining
network pharmacology
Bupleurum decreaseing liver’s yin essence
mutual-detoxication compatibility
traditional Chinese medicine toxicity
Glycyrrhizae Radix et Rhizoma
Paeoniae Radix Alba
Angelicae Sinensis Radix
Scutellariae Radix
saikosaponin
作者简介
刘青松(1997—),男,硕士研究生,研究方向为中医药防治脾胃系病证的研究。Tel:18408297768 E-mail:lqscptp@163.com;通信作者:李斌(1987—),男,副教授,硕士研究生导师,研究方向为中医药防治老年疾病的研究。Tel:15882463615 E-mail:leebin1987@163.com。
