基于指纹图谱及网络药理学的郁金标准汤剂质量标志物研究  

Study on the quality markers of Curcumae Radix standard decoction based on fingerprint and network pharmacology

作　　者：段志文 刘晓霞 何民友 位翠杰 冯涌微 邱海宝 郑蓉慧 孙冬梅 陈向东 李振雨 Duan Zhiwen;Liu Xiaoxia;He Minyou;Wei Cuijie;Feng Yongwei;Qiu Haibao;Zheng Ronghui;Sun Dongmei;Chen Xiangdong;Li Zhenyu(Guangdong Yifang Pharmaceutical Co.,Ltd.,Foshan 528244,China;Jiangxi Yifang Tianjiang Pharmaceutical Co.,Ltd.,Nanchang 330006,China)

机构地区：[1]广东一方制药有限公司,佛山528244 [2]江西一方天江药业有限公司,南昌330006

出　　处：《国际中医中药杂志》2024年第12期1622-1628,共7页International Journal of Traditional Chinese Medicine

基　　金：国家工信部2022年产业技术基础公共服务平台项目-中药全产业链质量技术服务平台(2022-230-221);2022年佛山市南海区重点领域科技攻关专项(南科〔2023〕20号-18)。

摘　　要：目的建立郁金标准汤剂的超高效液相色谱(UPLC)指纹图谱方法及莪术烯醇HPLC含量测定方法,并结合网络药理学预测郁金标准汤剂的质量标志物。方法采用UPLC法建立郁金标准汤剂指纹图谱,确定共有峰,结合相似度分析、聚类分析等化学模式识别技术,对不同产地的郁金标准汤剂进行研究。以莪术烯醇为指标对24批郁金标准汤剂进行含量测定,同时采用网络药理学预测莪术烯醇、莪术双环烯酮作用机制。结果对24批不同产地郁金标准汤剂进行比较分析,共标定10个共有峰,24批样品相似度为0.982~0.999,聚类分析及主成分分析将其分为3类,热图分析显示,峰8(莪术双环烯酮)、峰9(莪术烯醇)为主要成分;测定24批郁金标准汤剂中莪术烯醇含量为0.69~1.87 mg/g;莪术烯醇、莪术双环烯酮可能通过调节神经活性配体-受体相互作用信号通路、钙信号、激素生物合成、细胞周期等通路发挥抗肿瘤等作用。预测莪术烯醇、莪术双环烯酮为郁金潜在质量标志物。结论莪术烯醇、莪术双环烯酮为郁金标准汤剂的潜在质量标志物,所建立的指纹图谱可为郁金标准汤剂的质量控制提供科学依据。Objective To establish the ultra-high performance liquid chromatography(UPLC)fingerprint and high performance liquid chromatography(HPLC)content determination method of Curcumae Radix standard decoction;To predict the quality markers of Curcumae Radix standard decoction combined with network pharmacology.Methods UPLC method was used to establish the fingerprint of Curcumae Radix standard decoction,and the common peaks were determined.Combined with chemical pattern recognition techniques such as similarity analysis and clustering analysis,Curcumae Radix standard decoction from different producing areas was studied,and curcumol was used as an index to determine the content of 24 batches of Curcumae Radix standard decoction.At the same time,network pharmacology was used to predict potential of curcumol and(1S,6β)-1β-Methyl-4-(1-methylethylidene)-7β-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one.Results A total of 24 batches of Curcumae Radix standard decoction from different habitats were compared and analyzed,and 10 common peaks were calibrated.The similarity of 24 batches of samples ranged from 0.982 to 0.999.Clustering analysis and principal component analysis divided them into three categories.Heat map analysis showed that peak 8(curcumol)and peak 9((1S,6β)-1β-Methyl-4-(1-methylethylidene)-7β-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one)were the main components.The content of curcumol in 24 batches of Curcumae Radix standard decoction was 0.69-1.87 mg/g;curcumol and(1S,6β)-1β-Methyl-4-(1-methylethylidene)-7β-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one may regulate the neuroactive ligand-receptor interaction signaling pathway,calcium signaling,and excitation by regulating neuroactive ligand-receptor interaction signaling pathway,calcium signaling,and excitation.It was preliminarily predicted that curcumol and(1S,6β)-1β-Methyl-4-(1-methylethylidene)-7β-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one were potential quality markers of Curcumae Radix.Conclusion Curcumol and(1S,6β)-1β-Methyl-4-(1-methylethylidene)-7β-(3-oxobutyl)b

关 键 词：郁金 标准汤剂 指纹图谱 网络药理学 莪术烯醇 抗肿瘤 

分 类 号：R286.0[医药卫生—中药学]