附子心肌毒性Q-Marker及其网络药理学机制分析  

Analysis of Q-Marker and Its Network Pharmacology Mechanism of Aconite Myocardial Toxicity

作　　者：杨洋 张书亚 李汉洪 梅全喜 刘仁炎 王丽 陈琴华 YANG Yang;ZHANG Shuya;LI Hanhong;MEI Quanxi;LIU Renyan;WANG Li;CHEN Qinhua(Department of Pharmacy,Bao'an Authentic TCM Therapy Hospital,Shenzhen,Guangdong 518101,China;Shenzhen Bao'an Traditional Chinese Medicine Hospital,Guangzhou University of Chinese Medicine,Shenzhen,Guangdong 518000,China;Dongfeng General Hospital of Traditional Chinese Medicine,Shiyan,Hubei 442008,China)

机构地区：[1]深圳市宝安纯中医治疗医院,广东深圳518101 [2]深圳市宝安区宝安中医院(集团),广东深圳518000 [3]湖北医药学院附属国药东风总医院,湖北十堰442008

出　　处：《今日药学》2025年第1期26-33,共8页Pharmacy Today

基　　金：深圳市“医疗卫生三名工程”项目(SZZYSM202106004);深圳市科技计划项目(JCYJ20210324125210028);广东省药学会外科药学曼陀罗研究专项(2022WKYX10);深圳市药学会医院药学研究基金项目(SZ2022A13)。

摘　　要：目的基于Q-Marker的“五原则”,结合网络药理学和分子对接技术,对附子心肌毒性作用的机制及潜在的毒性标志物进行预测分析。方法运用网络药理学方法构建“成分-靶点-通路”网,对主要毒性成分及附子心肌毒性关键靶点进行分析;分子对接软件应用于分子对接验证某些关键靶点及其对应成分,以验证它们之间的相互作用活性;利用现有文献对附子药材Q-Marker的来源进行整合,基于Q-Marker“五原则”对附子产生的心肌毒性进行研究,对心肌毒性作用机制及其毒性标志物进行进一步筛选和预测。结果附子产生心肌毒性的主要成分可能是乌头碱、次乌头碱、新乌头碱、去甲乌药碱等,通过调节三个心脏靶点基因即SCN5A、GJA1、GJA5,导致心肌细胞的信号传导和收缩功能异常,从而引起心肌毒性诱导心脏的一系列不良反应。结论利用网络药理学与分子对接等技术结合Q-Marker相关概念预测了附子的毒性标志物及其心肌毒性作用机制;为后续附子开发使用提供参考依据。OBJECTIVE This study aims to analyze myocardial toxicity mechanisms and potential toxicity markers of Aconitum using the“five principles”of Q-Marker,in conjunction with network pharmacology and molecular docking techniques.METHODS In this study,the network pharmacology method was used to construct a“component-target-pathway”network.The network pharmacology method was used to construct a“component-target-pathway”network,which was used to analyze the main toxic components and key targets of myotoxicity of Aconitum.Molecular docking software was used to validate the key targets and their corresponding components by molecular docking in order to verify their interaction activities.The Q-Marker sources of Aconitum were integrated with the existing literature,and further screening and prediction of the mechanism of myotoxicity and its toxicity markers were conducted based on the“five principles”of Q-Marker.The source of Q-Marker of Aconitum was integrated with the existing literature,and the myocardial toxicity of Aconitum was investigated based on the“five principles”of Q-Marker,and the mechanism of myocardial toxicity and its toxicity markers were further screened and predicted.RESULTS The main components of Aconitum that produce cardiotoxicity may be aconitine,hypoconitine,neoconitine,and desmethyl aconitine,which affect the signalling and contractile functions of cardiomyocytes by regulating three cardiac target genes,such as SCN5A,GJA1,and GJA5,leading to a series of adverse cardiac reactions due to cardiotoxicity.CONCLUSION The toxicity markers of Aconitum and its myocardial toxicity mechanism of action are predicted using the techniques of network pharmacology and molecular docking in combination with Q-Marker related concepts.It provides a reference basis for the subsequent study of Aconitum development and use.

关 键 词：附子 心肌毒性 作用机制 毒性标志物 预测分析 

分 类 号：R285[医药卫生—中药学]