摘要
借助LC-MS与网络药理学探索康复新液促进创伤修复的活性成分及可能作用机制。通过LC-MS获得康复新液中的活性化合物,预测其潜在靶点,利用GeneCards数据库预测“创伤”相关靶标。采用拓扑分析和人工智能算法寻找关键靶点及核心信号通路,构建活性成分-靶点-通路网络关系图,探讨其可能作用机制。利用聚类分析方法将LC-MS所得结果进行聚类,最终共获得534个潜在活性化合物;网络药理学结果表明,康复新液促进创面愈合可能是通过作用于CA9、EGFR、CHRNA7、CA3、ADORA2A等蛋白,在PI3K-Akt信号通路、Rap1信号通路、钙信号通路、Ras信号通路、cAMP信号通路中共同发挥关键作用。网络药理学的应用充分揭示了中药“多成分、多靶点、多途径协同作用”的理论体系,为康复新液促进创伤修复的作用机制探索提供了新的见解。
To explore the active components and possible mechanism of Kangfuxin Liquid in promoting wound repair with the help of LC-MS and network pharmacology. The active compounds in Kangfuxin Liquid were obtained by LC-MS, and their potential targets were predicted. The “trauma” related targets were predicted by genecards database. Topological analysis and artificial intelligence algorithm are used to find key targets and core signal pathways, construct the relationship diagram of active ingredient target pathway network, and explore its possible mechanism. The results of LC-MS were clustered by cluster analysis, and a total of 534 potentially active compounds were obtained;The results of network pharmacology show that Kangfuxin Liquid may promote wound healing by acting on CA9, EGFR, CHRNA7, CA3, adora2a and other proteins, and play a key role in PI3K Akt signal pathway, Rap1 signal pathway, calc ium signal pathway, RAS signal pathway and cAMP signal pathway. The application of network pharmacology fully reveals the theoretical system of “multi-component, multi-target and multi-channel” synergy of traditional Chinese medicine, and provides new insights into the mechanism of Kangfuxin Liquid in promoting wound repair.
作者
柏林宇
曾惠娜
巫秀美
刘衡
何苗
张成桂
Bo Linyu;Zeng Huina;Wu Xiumei;Liu Heng;He Miao;Zhang Chenggui(Dali University,College of pharmacy,Dali 671000;Yunnan Provincial Key Laboratory of Entomological Biopharmaceutical R&D,Dali 671000;National-Local Joint Engineering Research Center of Entomoceutics Dali University,Dali 671000,China)
出处
《广东化工》
CAS
2022年第8期55-58,93,共5页
Guangdong Chemical Industry
基金
国家自然科学基金资助项目(No.81860742,81860765)
云南省重大科技专项(No.202002AA100007)。
关键词
康复新液
美洲大蠊
网络药理学
液相色谱-质谱联用技术
创伤修复
kangfuxin Liquid
periplaneta americana
network pharmacology
liquid chromatography-mass spectrometry
wound repair