CAJ | 학술논문

鉴于药物微观作用具有的基本网络调控特性，网络药理学已经成为药物机理研究和新药研发的新思路。本文从计算方法的角度对网络药理学的核心研究内容之一：药物靶点关系及其预测的分析方法进行综述，在此基础上，总结了近年来药物靶点预测分析方法所遵循的一般原理和步骤。鉴于中药成分的多样性、药物的整体调控能力和高质量药理数据的缺乏等问题，中药面向靶点网络的调控机理研究具有更大难度。因此，本文还探讨了中药药物靶点预测分析研究的主要难点与研究趋势。最后，结合实际整合后的中药网络数据、化学结构相似性计算和链接预测方法，应用一种基于复杂网络的中药靶点预测分析方法进行了示范实验研究，并探讨中药靶点预测分析的重点研究方向。
감우약물미관작용구유적기본망락조공특성，망락약이학이경성위약물궤리연구화신약연발적신사로。본문종계산방법적각도대망락약이학적핵심연구내용지일：약물파점관계급기예측적분석방법진행종술，재차기출상，총결료근년래약물파점예측분석방법소준순적일반원리화보취。감우중약성분적다양성、약물적정체조공능력화고질량약리수거적결핍등문제，중약면향파점망락적조공궤리연구구유경대난도。인차，본문환탐토료중약약물파점예측분석연구적주요난점여연구추세。최후，결합실제정합후적중약망락수거、화학결구상사성계산화련접예측방법，응용일충기우복잡망락적중약파점예측분석방법진행료시범실험연구，병탐토중약파점예측분석적중점연구방향。
Due to the importance of molecular mechanisms of drug actions, network pharmacology has become a new perspective on drug mechanism research and novel drug discovery. Drug target prediction using computational methods, is one of the key research topics in network pharmacology. This paper reviewed the related research on drug target prediction methods. Furthermore, general principles of drug target prediction methods and key steps of them in recent years were summarized. Given the diversity of Chinese medicine ingredients, the network controlla-bility of herbs and the lack of high-quality pharmacological data, the network regulation mechanism of Chinese herb research will meet even more difficulties than modern drug research. Therefore, this paper also discussed main is-sues and research trends of Chinese herb target prediction. Finally, combining with the actual consolidated network data of Chinese herbs, chemical structure similarity computation and link prediction methods, the network-based herb target prediction method was proposed to demonstrate key research steps. Furthermore, we discussed the most significant research topics that we should addressed to enhance the high quality results of herb target prediction.