摘要
目的:从“效应-靶标”互作关联视角探讨消肿止痛贴的功效机理。方法:基于中国学术期刊全文数据库(CNKI)和PubMed数据库收集消肿止痛贴组方药材沙蒿子、水蔓菁、薄荷脑中所含的化学成分信息,利用中医药百科全书(ETCM 2.0,http://www.tcmip.cn/ETCM2/front/#/)收集其透皮吸收特性,筛选Golden Triangle为Accepted的成分预测候选靶标谱预测。利用中医药整合药理学研究平台(TCMIP v2.0),依据化合物结构相似性原理,预测其候选靶标谱。同时,利用SoFDA数据平台收集消肿止痛贴功效相关的症状与其相关基因信息。进一步,利用上述方药候选靶标与其功效相关基因之间的相互作用信息,构建消肿止痛贴的“效应-靶标”互作关联网络,通过计算网络节点拓扑特征值,筛选网络核心靶标,并开展功能挖掘,阐释消肿止痛贴的功效机制。结果:基于ETCM 2.0及TCMIP v2.0数据库共得到165个方药候选靶标,基于SoFDA数据库收集到清热、消肿、止痛功效相关症状及其1744个相关基因。网络构建与分析发现,消肿止痛贴的核心效应靶标主要参与调节机体的“免疫-炎症”平衡、维持物质与能量代谢稳态、血液循环和神经系统功能,与该方清热、消肿、止痛功效紧密关联。其中,消肿止痛贴-清热功效组具有清热解毒、抗菌消炎之功,其核心效应靶标群的生物学功能与矫正病原体诱导机体“免疫-炎症”失衡有关;消肿止痛贴-消肿功效组具有利水消肿、软坚散结之功,其核心效应靶标群的生物学功能与改善微循环障碍有关;消肿止痛贴-止痛功效组具有化瘀解滞、活血止痛之功,其核心效应靶标群与纠正神经系统和物质及能量代谢紊乱有关。结论:消肿止痛贴清热、消肿和止痛的功效可能与其作用于相关候选靶标,从而矫正“神经-免疫-血管轴”失衡,调节神经元兴奋性和炎症反应,干预物质和能量代谢密切相关。相关研究结果为明确消肿止痛贴的优势疗效环节和辅助其临床精准定位奠定理论基础。
Objective:The mechanisms underlying therapeutic efficacies of Detumescence Analgesic Plaster was analyzed based on"effect-target"associations.Method:Based on CNKI and PubMed databases,the chemical components of Artemisia seed,bastard speedwell,and menthol in Detumescence Analgesic Plaster were collected.The capacity of transdermal absorption was predicted based on the Encyclopedia of Traditional Chinese Medicine(ETCM 2.0).Golden Triangle of compounds with Accepted used for candidate target prediction based on the Integrative Pharmacology-based Research Platform of Traditional Chinese Medicine(TCMIP v2.0)according to the similarity of chemical structures.At the same time,the SoFDA data platform was employed to collect the symptoms related to the efficacy of Detumescence Analgesic Plaster and its related genes information.In addition,based on the interaction between the above-mentioned candidate targets and their efficacy-related genes,the"effect-target"interaction network of Detumescence Analgesic Plaster was constructed.The key targets by topological features calculation,and functional mining was carried out to explain the efficacy mechanism of Detumescence Analgesic Plaster.Result:A total of 165 candidate targets were obtained based on ETCM 2.0 and TCMIP v2.0 databases,and symptoms related to the efficacy of clearing heat,detumescence,and relieving pain,as well as 1744 related genes were collected based on the SoFDA database.Network construction and analysis showed that the core effect targets of Detumescence Analgesic Plaster were mainly involved in regulating the"immune-inflammation"balance of the body and maintaining the homeostasis of material and energy metabolism,blood circulation,and nervous system functions,and they were closely related to the efficacy of this prescription in clearing heat,reducing detumescence,and relieving pain.Among them,the heat clearing group of Detumescence Analgesic Plaster had the functions of heat clearing,detoxifying,antibacteria,and anti-inflammation.The biological function of its key effect target group was related to correcting the imbalance of"immune-inflammation"induced by pathogens.The detumescence group of Detumescence Analgesic Plaster had the functions of reducing water and swelling and resolving hard lumps,and the biological function of its core effect target group was related to improving microcirculation disturbance.The pain relieving group of Detumescence Analgesic Plaster had the functions of removing stasis,promoting blood circulation,and relieving pain,and its core effect target group was related to correcting the nervous system and the disorder of material and energy metabolism.Conclusion:The heat clearing,swelling reducing,and pain relieving effects of Detumescence Analgesic Plaster may be closely related to its act on related candidate targets,so as to correct the imbalance of"nerve-immunity-vascular-axis",regulate neuronal excitability and inflammatory response,and intervene in material and energy metabolism.The relevant research results lay a theoretical foundation for clarifying the advantages of Detumescence Analgesic Plaster and assisting its clinical precise positioning.
作者
毛鹏
李玮婕
李春霞
马旺明
张彦琼
许海玉
MAO Peng;LI Weijie;LI Chunxia;MA Wangming;ZHANG Yanqiong;XU Haiyu(Shaanxi Momentum Qixuehe Pharmaceutical Co.Ltd.,Xianyang 712000,China;Institute of Chinese Materia Medica,China Academy of Chinese Medical Sciences,Beijing 100700,China;NMPA Key Laboratory for Research and Evaluation of Traditional Chinese Medicine,Beijing 100700,China)
出处
《中国实验方剂学杂志》
CAS
CSCD
北大核心
2024年第13期106-113,共8页
Chinese Journal of Experimental Traditional Medical Formulae
基金
中国中医科学院基本科研业务费优秀青年科技人才培养专项(ZZ16-YQ-026)
中央级公益性科研院所基本科研业务费专项(ZXKT22056)
国家重点研发计划项目(2023YFC2308200)。
关键词
“效应-靶标”关联网络
消肿止痛贴
清热
消肿
止痛
"effect-target"association
Detumescence Analgesic Plaster
clearing heat
detumescence
relieving pain
