基于灰色关联度的保元汤基准样品抗氧化作用的谱效关系研究  

Study on Spectrum-Effect Relationship of Anti-Inflammation of Baoyuan Decoction(保元汤)Based on Gray Correlation Analysis

作　　者：李思颖 金晨 刘均正 童猛辉 何颖 朱洁 谭闽怀 黄慧莲 LI Singying;JIN Chen;LIU Junzheng;TONG Menghui;HE Ying;ZHU Jie;TAN Minhuai;HUANG Huilian(Key Laboratory of Modern Preparation of Traditional Chinese Medicine,Jiangxi University of Traditional Chinese Medicine,Nanchang Jiangxi 330004,China;Jiangxi Heying Pharmaceutical Co.,Ltd.,Shangrao Jiangxi 330029,China)

机构地区：[1]江西中医药大学现代中药制剂教育部重点实验室,江西南昌330004 [2]江西和盈药业有限公司,江西上饶335101

出　　处：《中医药导报》2025年第2期41-46,56,共7页Guiding Journal of Traditional Chinese Medicine and Pharmacy

基　　金：江西中医药大学校级科技创新团队发展计划(CXTD22002)。

摘　　要：目的:建立经典名方保元汤基准样品的HPLC指纹图谱,并分析其与体外抗氧化活性的关联性,建立谱效关系,筛选与抗氧化活性相关的成分。方法:采集16批次保元汤基准样品的指纹图谱,在对照图谱相似度评价均大于0.9的基础上建立多波长切换指纹图谱,结合聚类分析、主成分分析和正交偏最小二乘法判别分析对指纹图谱数据进行化学计量研究;以1,1-二苯基-2-苦肼基自由基(DPPH)清除法评价保元汤基准样品的抗氧化活性,通过灰色关联度法对16批次保元汤基准样品多波长切换指纹图谱共有峰与其抗氧化活性进行关联性分析,综合评价筛选抗氧化活性成分。结果:建立保元汤基准样品HPLC双波长指纹图谱中,在203 nm下确定15个共有峰,254 nm下确定3个共有峰,通过对照品指认出其中8个化合物;建立的多波长切换指纹图谱含有18个共有峰,聚类分析等结果显示,样品大致可分为2类,共有峰F6、F3、F1、F2和F15所对应的化合物为主要差异成分;抗氧化实验结果表明各批次基准样品均显示出较好的抗氧化活性且与浓度呈正相关,其中批次S8的抗氧化活性最强;综合灰色关联分析和综合评分结果,共有峰F15、F7、F9、F4和F5所对应的化合物可能是表征保元汤抗氧化活性的重要成分。结论:建立的保元汤基准样品HPLC指纹图谱可用于其质量评价,谱效关系研究对于保元汤质量标志物筛选及质量控制具有重要的参考价值。Objective:A spectrum-activity relationship is established with the high-performance liquid chromatography(HPLC)fingerprint of the famous classical formula Baoyuan Decoction(BYD)and the in vitro antioxidant activity,to screen the components related to antioxidant activity by combining them with spectral effect relationship analysis.Methods:The HPLC method was used to establish the fingerprints of 16 batches of BYD benchmark samples,and the multi-wavelength switching fingerprints were established based on the similarity evaluations of the control fingerprints,which were all greater than 0.9.And the fingerprint data were combined with the cluster analysis,principal component analysis,and least-square two analysis to conduct the stoichiometric study.The antioxidant activities of BYD were evaluated by the DPPH radical scavenging methods.The correlation analysis of the 16 batches of BYD common peaks with their antioxidant capacity indexes was carried out by the gray correlation method to comprehensively evaluate the screened active ingredients.Results:In the dual-wavelength fingerprints of BYD,15 peaks were identified at 203 nm,and 3 peaks were identified at 254 nm.A total of 8 compounds were recognized by the control,and the multi-wavelength switching fingerprints of BYD contained 18 peaks.The results of the cluster analysis showed that the samples could be roughly divided into 2 groups,and that the compounds corresponding to the common peaks F6,F3,F1,F2 and F15 were the main difference components.The results of the antioxidant experiment showed that all batches of benchmark samples exhibited good antioxidant activity and that the antioxidant activity was positively correlated with concentration.In particular。S8 showed the strongest antioxidant activity.Combining the results of gray correlation analysis and comprehensive scoring,the compounds corresponding to the common peaks F15,F7,F9,F4,and F5 may be the most important components in characterizing the antioxidant activity of BYD.Conclusion:The HPLC fingerprints of

关 键 词：保元汤 经典名方 指纹图谱 谱效关系 抗氧化 灰色关联分析 

分 类 号：R284.1[医药卫生—中药学]