摘要
目的:通过谱效关系分析,探究冻干熊胆粉(NBBP)降脂作用的物质基础,为其质量控制提供一定参考。方法:建立7个厂家12批次冻干熊胆粉的HPLC指纹图谱,通过相似性分析和系统聚类分析评价产品的质量差异性;油酸钠/棕榈酸钠诱导HepG2体外高脂模型考察冻干熊胆粉的降脂药效;采用偏最小二乘回归分析(PLSR分析)和灰色关联分析(GRA分析)进行谱效学研究;最后利用分子对接技术验证了冻干熊胆粉的降脂作用。结果:建立了冻干熊胆粉的HPLC指纹图谱,标定了9个共有峰,指认其中的3个共有峰;质量分析和体外降脂实验表明,不同厂家冻干熊胆粉共有峰峰面积及药效作用存在一定差异;谱效关系研究显示,指纹谱图中的峰3(牛磺熊去氧胆酸,TUDCA)、峰7(牛磺鹅去氧胆酸,TCDCA)、峰1和峰2对应的物质具有降脂作用。分子对接结果显示TUDCA、TCDCA和过氧化物酶体增殖物激活受体α(PPARα)、肝X受体(LXRs)等靶点有较强的结合活性。结论:通过谱效关系和分子对接技术,阐明了冻干熊胆粉降脂的药效物质基础,为其临床合理应用和质量控制提供了一定的参考依据。
Objective:The material basis of lipid-lowering effects of freeze-dried bear bile powder(NBBP)was explored through the spectrum-effect relationship,which provided a reference for its quality control.Method:HPLC fingerprints of 12 batches of NBBP from 7 manufacturers were established to evaluate the quality differences of products through similarity analysis and systematic cluster analysis.An in vitro HepG2 cell hyperlipidemia model induced by sodium oleate/sodium palmitate was used to investigate the lipid-lowering effect of NBBP.Partial least squares regression analysis(PLSR)and grey relationship analysis(GRA)were used for the spectrum-effect study.Finally,molecular docking technology was used to verify the lipid-lowering effect of NBBP.Result:HPLC fingerprints of NBBP were established,and 9 common peaks were calibrated,of which 3 common peaks were identified.Quality analysis and in vitro lipid-lowering experiments showed that there were some differences in the common peak areas and pharmacological effects of NBBP from different manufacturers.The study on spectrum-effect relationship showed that the substances corresponding to the peak 3(tauroursodeoxycholic acid,TUDCA),peak 7(taurochenodeoxycholic acid,TCDCA),peak 1 and peak 2 in the fingerprints had lipid-lowering effects.Molecular docking results showed that TUDCA and TCDCA had strong binding activity with peroxisome proliferator-activated receptorsα(PPARα),liver X receptors(LXRs)and other targets.Conclusion:Through the spectrum-effect relationship and molecular docking technology,the material basis of lipidlowering effect of NBBP are clarified,which provides a reference for its rational clinical application and quality control.
作者
王茜
张君会
郭光鹏
王瑾
黄勤挽
WANG Xi;ZHANG Jun-hui;GUO Guang-peng;WANG Jin;HUANG Qin-wan(School of Pharmacy,Chengdu University of Traditional Chinese Medicine,Chengdu 611137,Sichuan;School of Ethnic Medicine,Chengdu University of Traditional Chinese Medicine,Chengdu 611137,Sichuan;Sichuan Limin Chinese Herbal Pieces Co.,Ltd.,Chengdu 611330,Sichuan)
出处
《中药与临床》
2023年第2期33-38,共6页
Pharmacy and Clinics of Chinese Materia Medica
基金
四川省科技厅重点研发项目(编号:2020YFS0497)。
关键词
冻干熊胆粉
降脂作用
高效液相色谱法(HPLC)
指纹图谱
谱效关系
分子对接
Freeze-dried bear bile powder
lipid-lowering effect
high performance liquid chromatography(HPLC)
fingerprint
spectrum-effect relationship
molecular docking
