基于指纹图谱和网络药理学的补肾培元汤质量标志物(Q-Marker)预测分析  

Predictive analysis of quality markers(Q-Marker)for Bushen Peiyuan Decoction based upon fingerprinting and network pharmacology

作　　者：刘星彤 李丹 邹丽红 石爱文 张鹏 刘莉[1] 齐滨[1] 王贤雅 邹迪[4] LIU Xingtong;LI Dan;ZOU Lihong;SHI Aiwen;ZHANG Peng;LIU Li;QI Bin;WANG Xianya;ZOU Di(College of Pharmacy,Changchun University of Chinese Medicine,Jilin Changchun 130117,China;Affiliated Third Clinical Hospital,Changchun University of Chinese Medicine,Jilin Changchun 130117,China;Jilin Aodong Shihang Pharmaceutical Inc,Jilin Dunhua 133700,China;Affiliated Hospital,Changchun University of Chinese Medicine,Jilin Changchun 130117,China)

机构地区：[1]长春中医药大学药学院,吉林长春130117 [2]长春中医药大学附属第三临床医院肾病科,吉林长春130117 [3]吉林敖东世航药业股份有限公司,吉林敦化133700 [4]长春中医药大学附属医院肾内科,吉林长春130021

出　　处：《中国医院药学杂志》2024年第12期1423-1428,共6页Chinese Journal of Hospital Pharmacy

基　　金：吉林省教育厅科学研究项目(编号:JJKH20230979KJ)。

摘　　要：目的:基于指纹图谱和网络药理学,预测补肾培元汤潜在的质量标志物成分。方法:运用高效液相色谱法建立10批补肾培元汤指纹图谱,指认并归属其共有峰,进行相似度评价和聚类分析,评价不同批次样品间质量差别,基于化学成分有效性,可测性和网络药理学对其潜在的质量标志物预测分析。结果:指纹图谱共确认43个共有峰,指认12个共有峰,包括绿原酸、芦丁、山柰酚、苦杏仁苷、京尼平苷酸、大黄酚、大黄酸、芦荟大黄素、京尼平龙胆双糖苷、积雪草苷、槲皮素、毛蕊异黄酮,并且其相似度均大于0.9,样品可聚为2类,通过网络药理学预测可知,12个成分能通过RELA、MMP3和GSK3B等多个靶点调控癌症,肾病,粥样硬化等多条通路。结论:预测绿原酸、芦丁、山柰酚、苦杏仁苷、京尼平苷酸、大黄酚、大黄酸、芦荟大黄素、京尼平龙胆双糖苷、积雪草苷、槲皮素、毛蕊异黄酮12个化学成分可作为潜在的质量标志物,以期为补肾培元汤质量控制及后续的研究提供参考。OBJECTIVE Prediction of potential quality marker components of Bushen Peiyuan Decoction based upon fingerprinting and network pharmacology.METHODS High performance liquid chromatography(HPLC)was utilized for establishing the fingerprints of 10 batches of Bushen Peiyuan Decoction,identifying and attributing the common peaks,performing similarity evaluation and cluster analysis,evaluating the quality differences between different batches of samples and to predicting potential quality markers based upon the validity of chemical compositions,measurability and cyber-pharmacology.RESULTS A total of 43 shared peaks were identified by fingerprinting and 12 shared peaks were confirmed,including chlorogenic acid,rutin,kaempferol,bitter amygdalin,genipin glycoside,rhubarb phenol,rhubarbic acid,aloe rhubarbin,genipin gentian bisaccharide glycoside,cumulus glandulosus glycoside,quercetin and mulligatawny isoflavones.All of them were more than 0.9 similarity.The samples could be clustered into 2 classes.Pedictions of network pharmacology showed that these 12 constituents could regulate such multiple pathways as cancer,nephropathy and atherosclerosis through multiple targets of RELA,MMP3 and GSK3B.CONCLUSION The chemical components of chlorogenic acid,rutin,kaempferol,bitter amygdalin,genipin glycoside,rhubarb phenol,rhubarbic acid,aloe rhubarbin,genipin gentian disaccharide glycoside,cumene glycoside,quercetin and trichothecenes isoflavones may be employed as potential quality markers for references for quality control of Bushen Peiyuan Decoction and for subsequent studies.

关 键 词：补肾培元汤 指纹图谱 网络药理学 质量标志物 

分 类 号：R917[医药卫生—药物分析学]