摘要
目的:指纹图谱结合化学模式识别技术及网络药理学,分析预测不同产地野生石菖蒲(Acorus tatarinowii Schott)中潜在的差异质量标志物(quality marker,Q-marker)。方法:采用HPLC法建立石菖蒲药材指纹图谱,确认共有峰并进行指认,通过主成分分析(principal component analysis,PCA)及正交偏最小二乘-判别分析(orthogonal partial least square-discriminant analysis,OPLS-DA),筛选引起产地差异的主要特征化学成分;再运用网络药理学构建“活性成分-靶点-通路网络”图,预测Q-marker。结果:建立了4个产地18批石菖蒲药材指纹图谱,共有峰的选择显示不同产地石菖蒲药材的内在质量存在明显差异,PCA和OPLS-DA显示同一产地石菖蒲药材各自聚为一类,指认的3号峰(β-细辛醚)是引起产地差异的主要特征化学成分。网络药理学筛选出6个潜在Q-marker,结合Q-marker五要素原则,进一步明确β-细辛醚可作为石菖蒲的潜在Q-marker。结论:预测了β-细辛醚可作为不同产地石菖蒲药材的差异Q-marker,为石菖蒲质控指标的选择提供思路和参考依据。
Objective:Using fingerprint combined with chemical pattern recognition technology and network pharmacology to analyze and predict potential differential quality markers(Q-markers)in wild Acorus tatarinowii from different origins.Methods:Fingerprint of Acorus tatarinowii was established by HPLC,and common peaks were confirmed and identified.Through principal component analysis(PCA)and orthogonal partial least squares-discriminant analysis(OPLS-DA),the main characteristic chemical components that caused differences in origins were screened.“Active ingredient-target-pathway network”was constructed by network pharmacology to predicted Q-markers.Results:Fingerprints of 18 batches Acorus tatarinowii from 4 origins were established.The selection of common peaks showed significant differences in the intrinsic quality of Acorus tatarinowii from different origins.PCA and OPLS-DA showed that Acorus tatarinowii from the same origin were grouped together,and the designated peak 3(β-asarone)was the main characteristic chemical component that caused differences in origins.Six potential Q-markers were identified through network pharmacology.Combined with the Five Element Principles of Q-markers,it was further clarified thatβ-asarone can be used as a potential Q-marker for Acorus tatarinowii.Conclusion:The research results analyzed and predictedβ-asarone can be used as a differential Q-marker for different origins of Acorus tatarinowii,providing ideas and reference for the selection of quality control indicators for Acorus tatarinowii.
作者
李鹏辉
孙瑜
冯小龙
陶新如
龚年春
蔡媛
彭艳梅
LI Peng-hui;SUN Yu;FENG Xiao-long;TAO Xin-ru;GONG Nian-chun;CAI Yuan;PENG Yan-mei(Hunan Academy of Traditional Chinese Medicine,Changsha 410006,China)
出处
《中国新药杂志》
CAS
CSCD
北大核心
2024年第11期1174-1184,共11页
Chinese Journal of New Drugs
基金
湖南省重点研发计划资助项目(2021SK2007)
湖南省自然科学基金科药联合基金资助项目(2021JJ80050,2022JJ80075)
湖南省中医药管理局重点项目、一般项目(A2023005,2021098)
长沙市自然科学基金资助项目(kq2202359)
湖南省中医药研究院青年基金资助项目(202114)
芙蓉实验室科技攻关资助项目(2023SK2097)。
关键词
石菖蒲
指纹图谱
化学模式识别
网络药理学
差异质量标志物
Β-细辛醚
Acorus tatarinowi Schott
fingerprint
chemical pattern recognition
network pharmacology
differential quality marker
beta-asarone
