摘要
应用现代科学理论和技术探索中药及其复方作用机制,是实现中医药现代化研究的关键问题之一。中药及复方通过多成分作用于多靶点而产生综合药效,阐明其作用机制的核心就要解决成分与靶点网络拓扑的“静态”关联和“动态”整合验证的关键科学问题。目前,阐明中药及其复方作用机制的有效方法是通过网络药理学静态关联体外成分与靶点的拓扑网络,尽管也有对成分-靶点的验证研究,但多借鉴“单成分-单靶点”研究思路,建立一种符合中医药特色的定量整合和整体验证方法较为迫切。根据中医药超分子“气析”理论,中药与人体微观作用机制实际上是中药有效成分群和人体靶点群这2个超分子主客体基于“印迹模板”的“气析”作用,宏观上表现出药性与药效。基于此,笔者提出以超分子“气析”理论为指导,结合超分子化学、网络动力学、定量药理学等方法定量整合并验证网络药理学预测得到的以“印迹模板”为核心的成分与靶点群,寻找最优质量标志物,极大降低中药及其复方多成分-多靶点实验验证难度。
The application of modern scientific theories and technologies to explore the mechanism of Chinese medicine and its compounds is one of the key issues in realizing the modernization of traditional Chinese medicine(TCM)research.Chinese medicine and its compounds produce comprehensive pharmacodynamics through multiple components acting on multiple targets,the core of clarifying the mechanism is to solve the key scientific problems of static correlation and dynamic integration verification between the components and the target network topology.At present,the effective method to clarify the mechanism of Chinese medicine and its compounds is to statically correlate the topological network of in vitro components and targets through network pharmacology.Although there are also component-target verification studies,they often learn from research idea of single component-single target,it is urgent to establish a quantitative integration and overall verification method that conforms to the characteristics of TCM.According to supramolecular Qi chromatography theory of TCM,the microscopic mechanism of interaction between Chinese medicine and human body is actually the two supramolecular host and object groups(the active ingredient group of Chinese medicine and the target group of human body)based on imprinted template,which shows the macroscopic properties and pharmacodynamics.Based on this,the author proposes to use supramolecular Qi chromatography theory as the guidance,combined with supramolecular chemistry,network dynamics,quantitative pharmacology and other methods to quantitatively integrate and verify the compositions and the target groups with imprinted template as the core predicted by network pharmacology,looking for the optimal quality markers,greatly reducing the difficulty of multi-component-multi-target experimental verification of Chinese medicine and its compounds.
作者
李海英
潘雪
王敏存
周燕子
陈定芳
吴月峰
周逸群
贺福元
LI Hai-ying;PAN Xue;WANG Min-cun;ZHOU Yan-zi;CHEN Ding-fang;WU Yue-feng;ZHOU Yi-qun;HE Fu-yuan(Laboratory of Supramolecular Mechanism and Mathematic-physics Chracterization for Traditional Chinese Medicine,Hunan Provincial Key Laboratory of Druggability and Preparation Modification for Chinese Materia Medica,School of Pharmacy,Hunan University of Chinese Medicine,Changsha 410208,China)
出处
《中国实验方剂学杂志》
CAS
CSCD
北大核心
2021年第21期207-213,共7页
Chinese Journal of Experimental Traditional Medical Formulae
基金
国家自然科学基金项目(81803729,82803729,81903759)
湖南省自然科学基金项目(2017JJ3236)
中药成药性与制剂制备湖南省重点实验室项目(2016TP1017)
湖南省教育厅优秀青年项目(20B438)
长沙市科学技术局项目(kq2004059)
湖南中医药大学研究生创新课题(2019CX54)。
关键词
化学成分
靶点群
网络药理学
超分子“气析”理论
“印迹模板”
超分子化学
网络动力学
chemical composition
target clusters
network pharmacology
supramolecular Qi chromatography theory
imprinted template
supramolecular chemistry
network dynamics
