摘要
目的基于灰色关联法及偏最小二乘法探讨中药路路通不同极性部位对人肝癌细胞SMMC-7721影响的谱效关系,揭示中药路路通抗肝肿瘤作用的物质基础。方法采用HPLC法建立路路通不同极性部位的指纹图谱,以人肝癌SMMC-7721细胞作为体外模型进行抗肝肿瘤药效学评价;运用灰色关联度及偏最小二乘法分析法,将指纹图谱共有峰相对峰面积与不同浓度体外药效抑制率进行关联,建立不同极性部位与体外抗肿瘤的谱效关系模型。结果6个不同极性部位指纹图谱中共标识20个指纹峰,其中采用灰色关联度分析法,路路通药材与抗肝肿瘤相关系数大于0.8的色谱峰共15个,0.5 mg/mL与1 mg/mL给药浓度时筛选相似性100%;其中采用偏最小二乘分析法,路路通药材对抗肝肿瘤药效贡献较大色谱峰共13个,0.5 mg/mL与1 mg/mL给药浓度时筛选相似性100%。结论经灰色关联度分析法与偏最小二乘法分析法筛选结果进行比对发现,二者共有11个色谱峰相同,相似性为84%;将不同数学方法引入中药活性部位谱效关系相关性评价中,能更加真实、客观地得到中药发挥药效的药效物质单体,该研究为开展基于谱效关系的中药药效物质筛选及预测提供了一种有效的分析方法。
Objective To probe the spectrum-effect relationship of different polar parts of Lulutong(Liquidambaris Fructus)on SMMC-7721 liver cancer cells based on grey relationship analysis and partial least-squares regression analysis,and reveal the material basis of Lulutong(Liquidambaris Fructus)anti-liver cancer.Methods HPLC method was used to establish the fingerprints of different polar parts of Lulutong(Liquidambaris Fructus),and human liver cancer SMMC-7721 cells were used as an in vitro model to evaluate the pharmacodynamics of anti-liver cancer.Grey relationship analysis and partial least-squares regression analysis methods were used to associate common peak relative peak area in fingerprint and in vitro pharmacodynamic inhibition rate of different concentrations and establish the relationship model of spectrum-effect between different polar sites and anti-tumor activity.Result:A total of 20 fingerprint peaks were identified by fingerprints of 6 different polarity sites,among which 15 peaks with correlation coefficient greater than 0.8 were identified by grey relationship analysis method.The similarity of 0.5 mg/mL and 1 mg/mL was 100%.13 peaks with significant contributions to the pharmacodynamics identified by partial least-squares regression analysis method.In the same way,the similarity of 0.5 mg/mL and 1 mg/mL was 100%.Conclusion A total of 11 chromatographic peaks are the same,compared with the results of grey relationship analysis and partial least-squares regression analysis,and the similarity is 84%.By introducing different mathematical methods into correlation evaluation,the monomer of the medicinal substance of traditional Chinese medicine can be obtained more truly and objectively.This study provides an effective analytical method for the screening and prediction of pharmacodynamic substances of traditional Chinese medicine based on spectrum-effect relationship.
作者
杨欣欣
张云坤
王帅
李天娇
包永睿
孟宪生
YANG Xinxin;ZHANG Yunkun;WANG Shuai;LI Tianjiao;BAO Yongrui;MENG Xiansheng(College of Pharmacy,Liaoning University of Traditional Chinese Medicine,Dalian 116600,Liaoning,China;Liaoning Multi-dimensional Analysis of Traditional Chinese Medicine Technical Innovation Center,Dalian 116600,Liaoning,China;The Second Hospital of Dalian Medical University,Dalian 116023,Liaoning,China)
出处
《辽宁中医杂志》
CAS
2022年第6期159-163,共5页
Liaoning Journal of Traditional Chinese Medicine
基金
国家自然科学基金(81874342)
关键词
中药路路通
抗肝肿瘤
谱效关系
灰色关联度分析
偏最小二乘回归分析
Lulutong(Liquidambaris Fructus)
anti-liver cancer
spectrum-effect relationship
grey relationship analysis
partial least-squares regression analysis
作者简介
杨欣欣(1979-),女,辽宁锦州人,副教授,硕士,研究方向:中药制药及药物制剂研究工作;通讯作者:包永睿(1978-),男,辽宁抚顺人,实验师,博士,研究方向:生药药效物质组学及作用机理整合研究工作。
