基于网络靶标理论和技术的中药研发实践  

Research and development practice of traditional Chinese medicine based on network target theory and technology

作　　者：李梢[1] 汪博洋 曹亮 肖立皓[4] 谌攀 张博 张新庄[2,3] 肖伟 LI Shao;WANG Bo-yang;CAO Liang;XIAO Li-hao;CHEN Pan;ZHANG Bo;ZHANG Xin-zhuang;XIAO Wei(Institute for TCM-X/Department of Automation,Tsinghua University,Beijing 100084,China;National Key Laboratory on Technologies for Chinese Medicine Pharmaceutical Process Control and Intelligent Manufacture,Lianyungang 222001,China;Jiangsu Kanion Pharmaceutical Co.,Ltd.,Lianyungang 222001,China;Shanghai University of Traditional Chinese Medicine,Shanghai 201203,China)

机构地区：[1]清华大学北京市中医药交叉研究所/自动化系,北京100084 [2]中药制药过程控制与智能制造技术全国重点实验室,江苏连云港222001 [3]江苏康缘药业股份有限公司,江苏连云港222001 [4]上海中医药大学,上海201203

出　　处：《中国中药杂志》2023年第22期5965-5976,共12页China Journal of Chinese Materia Medica

基　　金：安徽省中医药科技攻关专项(202303a07020001);国家中医药管理局“岐黄学者”中医药领军人才项目;国家自然科学基金国际(地区)合作与交流项目(62061160369)。

摘　　要：网络靶标理论与技术突破了“单基因、单靶点”模式的局限,旨在以生物网络为切入点,从信息与系统的角度解析中医药原理。作为中医药网络药理学的核心,随着计算机科学和高通量实验技术的发展,网络靶标理论与技术开始呈现与人工智能技术、高通量多模态多组学实验技术有机结合的发展趋势。从病证结合的角度,以银翘清热片等中药品种的网络靶标分析作为典型应用案例,网络靶标理论与技术对中药干预病证的中西表型-组织-细胞-分子-中西药物多层次生物网络实现了系统构建、深度解析和高通量多模态多组学验证,有助于解决关键靶点发现、功效物质发现、中药成分协同作用发现和方剂调节机制发现等中医药作用机制解析中的关键问题,为促进临床精准诊疗、中药精准定位、中药精准研发提供了有力的理论和技术支撑,从而逐步形成大数据与人工智能(AI)视角下、人用经验与科学证据相结合的中药研发新模式。Network targets theory and technology have transcended the limitations of the "single gene,single target" model,aiming to decipher the mechanisms of traditional Chinese medicine(TCM) based on biological network from the perspective of informatics and system.As the core of TCM network pharmacology,with the development of computer science and high-throughput experimental techniques,the network target theory and technology are beginning to exhibit a trend of organic integration with artificial intelligence technology and high-throughput multi-modal multi-omics experimental techniques.Taking the network target analysis of TCM like Yinqiao Qingre Tablets as a typical case,network target theory and technology have achieved the systematic construction,in-depth analysis,and high-throughput multi-modal multi-omics validation of multi-level biological networks spanning from traditional Chinese and Western phenotypes to tissues,cells,molecules,and traditional Chinese and Western medicines.This development helps to address critical issues in the analysis of mechanisms of TCM,including the discovery of key targets,identification of functional components,discovery of synergistic effects among compound ingredients,and elucidation of the regulatory mechanisms of formulae.It provides powerful theoretical and technological support for advancing clinical precision diagnosis and treatment,precise positioning of TCM,and precise research and development of TCM.Thus,a new paradigm of TCM research gradually emerges,combining big data and artificial intelligence(AI) with the integration of human experience and scientific evidence.

关 键 词：网络靶标 网络药理学 人工智能 多模态 多组学 中药研发 

分 类 号：R285[医药卫生—中药学]