药物组合的发现方法概述及用于中药研究的思考  

Overview of Discovery Methods for Drug Combinations and Reflections on Their Application in Traditional Chinese Medicine Research

作　　者：王文地 柴王静 范昕怡 魏小棋 郭淑贞 刘斌[1,3] WANG Wendi;CHAI Wangjing;FAN Xinyi;WEI Xiaoqi;GUO Shuzhen;LIU Bin(School of Chinese Materia Medica,Beijing University of Chinese Medicine,Beijing 102488,China;School of Traditional Chinese Medicine,Beijing University of Chinese Medicine,Beijing 100029,China;Key Laboratory of Discovery of Effective Substances in Classical Prescriptions of Traditional Chinese Medicine,National Administration of Traditional Chinese Medicine,Beijing 102488,China)

机构地区：[1]北京中医药大学中药学院,北京102488 [2]北京中医药大学中医学院,北京100029 [3]国家中医药管理局中药经典名方有效物质发现重点研究室,北京102488

出　　处：《中国药学杂志》2024年第14期1293-1299,共7页Chinese Pharmaceutical Journal

基　　金：国家自然科学基金项目资助(82174206);中央高校基本科研业务费专项资金资助(2023-JYB-KYPT-15)。

摘　　要：药物组合疗法是将两种或多种药物以“配方”的形式组合给药,达到增效减毒的作用,在各种复杂疾病的治疗、克服患者耐药性等方面获得不错效果。在过去的几十年中,西医对于组合药物的开发力度逐步增大,在组合药物的发现及筛选技术方面取得不错成果。中药具有“多成分、多靶点、多途径”的特点,结合多年的临床用药基础,是协同药物组合的可靠成分库。本研究对近十年来组合药物的发现方法,系统生物学、组学技术、机器学习和数学建模等技术手段在药物组合发现过程中的应用进行归纳整理,说明各方法的优势与不足,旨在为如何进一步对中药中潜在的有效成分组合进行识别、减少盲目试验和研究,对药物组合的相互作用关系进行评估提供新的思路和途径。Drug combination therapy is the combination of two or more drugs in the form of"formulas"to achieve the effect of increasing efficacy and reducing toxicity.It has achieved good results in the treatment of various complex diseases and overcoming drug resistance in patients.In the past few decades,Western medicine has gradually increased its efforts in the development of combination drugs and has achieved good results in the discovery and screening techniques of combination drugs.Traditional Chinese medicine(TCM),with the characteristics of“multi-components,multi-targets,and multi-pathways”,is a reliable ingredient library for synergistic drug combinations due to its years of clinical use.This paper summarizes the application of combinatorial drug discovery methods in the past decade,including systems biology,histology,machine learning,and mathematical modeling.It also explains the advantages and shortcomings of each method.It aims to provide new ideas and approaches for identifying potential combinations of active ingredients in traditional Chinese medicine,reducing blind tests and studies,and evaluating the interaction relationships of drug combinations.

关 键 词：组合药物 系统生物学 数学建模 中药复方 中药有效成分组合 

分 类 号：R282[医药卫生—中药学]