基于HPLC指纹图谱和分子对接技术探讨复方南板蓝根片抗炎抗病毒的物质基础及作用机制  

Exploring the Material Basis and Mechanism of Anti-inflammatory and Antiviral Effects of Compound Nanbanlangen Tablets Based on HPLC Fingerprint and Molecular Docking Technology

作　　者：许春 左文松 张纯 茶亚飞 郑兰平 XU Chun;ZUO Wensong;ZHANG Chun;CHA Yafei;ZHENG Lanping(Honghe Hani and Yi Autonomous Prefecture Research Institute of Inspection and Testing,Mengzi Yunnan 661199,China;Yunnan Institute of Food and Drug Supervision and Inspection,Kunming Yunnan 650106,China;Yunnan Tianyou Bear Industry Pharmaceutical Co.,LTD,Mengzi Yunnan 661199,China;Yunnan University of Chinese Medicine,Kunming Yunnan 650500,China)

机构地区：[1]红河州检验检测院,云南蒙自661199 [2]云南省食品药品监督检验研究院,云南昆明650106 [3]云南天佑熊业制药有限公司,云南蒙自661199 [4]云南中医药大学,云南昆明650500

出　　处：《中医药导报》2025年第3期70-76,共7页Guiding Journal of Traditional Chinese Medicine and Pharmacy

基　　金：云南省科技厅科技计划项目(202301AT070254,202101AZ070001-056)。

摘　　要：目的:基于指纹图谱和网络药理学,分析预测复方南板蓝根片抗炎抗病毒潜在的质量标志物及作用机制。方法:采用HPLC指纹图谱结合化学计量学分析复方南板蓝根片潜在的质量标志物。通过网络药理学分析和预测复方南板蓝根片的质量标志物,结合京都基因与基因组百科全书(KEGG)和基因本体论(GO)富集分析,探讨复方南板蓝根片质量标志物的作用机制。结果:建立了复方南板蓝根片指纹图谱,标记28个共有峰,对其进行峰归属及峰确认,并指认了9个共有峰,分别是秦皮乙素、菊苣酸、尿苷、没食子酸、原儿茶酸、秦皮甲素、咖啡酸、芦丁和槲皮素。10批次供试品的相似度0.943~1.000,聚类分析显示复方南板蓝根片生产工艺稳定,各生产企业存在一定差异。主成分分析和正交偏最小二乘判别分析得到7个潜在活性成分,分别是秦皮乙素、菊苣酸、尿苷、没食子酸、秦皮甲素、咖啡酸和芦丁。采用网络药理学分析得到秦皮乙素、咖啡酸为潜在质量标志物,其通过多靶点、多通路发挥抗炎抗病毒作用,且核心靶点与潜在质量标志物的分子对接结合能均小于-5.9 kcal/mol。结论:复方南板蓝根片可调控SRC、STAT3、PIK3CA、PIK3R1、PIK3CB等核心靶点,调节信号通路发挥抗炎抗病毒作用;秦皮乙素、咖啡酸为复方南板蓝根片的核心药效成分。Objective:To analyze and predict the potential quality markers and mechanisms of anti-inflammatory and antiviral effects of Compound Nanbanlangen Tablets based on fingerprinting and network pharmacology.Methods:HPLC fingerprinting combined with chemometric analysis was used to identify potential quality markers in Compound Nanbanlangen Tablets.Network pharmacology was employed to predict the quality markers,and the mechanisms were explored using Kyoto Encyclopedia of Genes and Genomes(KEGG)and Gene Ontology(GO)enrichment analyses.Results:A fingerprint of Compound Nanbanlangen Tablets was established,with 28 common peaks marked.Among these,9 common peaks were identified,including aesculetin,chicoric acid,uridine,gallic acid,protocatechuic acid,fraxin,caffeic acid,rutin,and quercetin.The similarity of 10 batches of samples ranged from 0.943 to 1.000.Cluster analysis indicated stable production processes,though some differences existed among manufacturers.Principal component analysis(PCA)and orthogonal partial least squares-discriminant analysis(OPLS-DA)identified 7 potential active components:aesculetin,chicoric acid,uridine,gallic acid,fraxin,caffeic acid,and rutin.Network pharmacology analysis suggested aesculetin and caffeic acid as potential quality markers,which exert anti-inflammatory and antiviral effects through multiple targets and pathways.The molecular docking binding energies of core targets with these potential quality markers were all less than-5.9 kcal/mol.Conclusion:Compound Nanbanlangen Tablets can regulate core targets such as SRC,STAT3,PIK3CA,PIK3R1,and PIK3CB,modulating signaling pathways to achieve anti-inflammatory and antiviral effects.Aesculetin and caffeic acid are the core active components of Compound Nanbanlangen Tablets.

关 键 词：复方南板蓝根片 抗炎 抗病毒 指纹图谱 网络药理学 秦皮乙素 咖啡酸 

分 类 号：R284.1[医药卫生—中药学]