复杂网络靶点收敛在疾病和方剂研究中的价值  

Value of complex network target convergence in disease and formulation research

作　　者：刘溪 王博 关双 王忠[1] LIU Xi;WANG Bo;GUAN Shuang;WANG Zhong(Institute of Basic Research in Clinical Medicine,China Academy of Chinese Medical Sciences,Beijing 100700,China)

机构地区：[1]中国中医科学院中医临床基础医学研究所,北京100700

出　　处：《中华中医药杂志》2023年第12期5649-5652,共4页China Journal of Traditional Chinese Medicine and Pharmacy

基　　金：“重大新药创制”国家科技重大专项(No.2017ZX09301059)。

摘　　要：复杂疾病的发生、发展与不同层次生命单元间的复杂相互关系有关。目前许多复杂疾病的病理机制不明,为疾病的预防及诊治带来困难。方剂在治疗复杂疾病发挥了单味药所无法获得的治疗效果,但方剂靶点谱广、精确性不明成为方剂现代化和国际化的瓶颈。复杂网络理论为我们探索各类复杂系统提供了一个全新的视角。目前针对网络靶点的筛选多采用基于网络拓扑结构的中心性方法及贪婪等算法均近似求得最优的节点集合,忽略了节点集合的大小和网络固有能力的关系,通过对网络靶点收敛找到最优的网络结构节点集,可以精准识别疾病靶点、识别方剂有效成分、明确方剂作用机制、优化复方组成,为更好地理解疾病机制以及中药药理作用机制的研究提供新思路。The occurrence and development of complex diseases are related to the complex interrelationships between different levels of life units.At present,the pathological mechanisms of many complex diseases are currently unknown,which brings difficulties to prevention and diagnosis and treatment of diseases.Formulas exert therapeutic effects that cannot be obtained by single drugs in the treatment of complex diseases,but the wide spectrum of formulas'targets and their unknown precision have become bottlenecks in the modernization and internationalization of formulas.Complex network theory provides a new perspective to explore all kinds of complex systems.The current network target screening mostly adopts centrality methods based on network topology and greedy algorithms to approximate the optimal set of nodes,ignoring the relationship between the size of the set of nodes and the inherent capacity of the network.By converging network targets to find the optimal set of network structure nodes,it is possible to accurately identify disease targets,identify effective ingredients of formulas,clarify the mechanism of action of formulas,and optimize the composition of compound formulas.It can provide new ideas for better understanding of disease mechanisms and research on pharmacological mechanisms of action of traditional Chinese medicine.

关 键 词：疾病 方剂 复杂网络 靶点收敛 整体观 系统生物学 网络医学 算法 

分 类 号：R285[医药卫生—中药学]