[关键词]
[摘要]
【目的】 应用网络药理学方法,探讨麝香、冰片对麻醉的促醒作用机制。【方法】 通过中药系统药理学数据库与分析平 台(TCMSP)、本草组鉴(HERB)收集麝香、冰片的有效活性成分及对应靶点。再利用人类基因组数据库(GeneCards)、在线人 类孟德尔遗传数据库(OMIM)检索与麻醉相关靶点,借助韦恩(Venny)2.1 在线平台获得药物靶点和疾病靶点的交集。运用 STRING数据库、Cytoscape 3.9.2软件、微生信平台构建蛋白相互作用(PPI)网络,进行基因本体论(GO)功能、京都基因与基 因组百科全书(KEGG)生物通路富集分析。【结果】 麝香、冰片活性成分共110种。关键活性成分包括黄芩素、睾酮、匹诺塞 林、N-去甲基荷叶碱等,主要作用于核心靶标SRC、STAT3、HSP90AA1、AKT1和GABRA1等,涉及神经活性配体-受体相 互作用信号通路、钙信号通路、5-羟色胺能突触通路等信号通路。分子对接显示,主要活性成分与核心靶点具有较好的结 合活性。【结论】 麝香、冰片可能通过黄芩素、睾酮、匹诺塞林、N-去甲基荷叶碱等有效活性成分,作用于 SRC、STAT3、 HSP90AA1、AKT1和GABRA1等核心靶点,通过调控神经活性配体-受体相互作用信号通路、钙信号通路、5-羟色胺能突触 通路等信号通路,以多成分、多靶点、多通路协同作用发挥对麻醉的促醒作用。
[Key word]
[Abstract]
Objective To investigate the mechanism of Moschus and Borneolum Syntheticum in promoting recovery from anesthesia using network pharmacology. Methods Active ingredients and corresponding targets of Moschus and Borneolum Syntheticum were collected from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and HERB. Anesthesia-related targets were retrieved from the GeneCards and OMIM databases. The intersection of drug targets and disease targets was identified using the Venny 2.1 online platform. The STRING database,Cytoscape 3.9.2 software,and the Microbioinformatics platform were employed to construct a protein-protein interaction (PPI) network and to perform Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analysis. Results A total of 110 active ingredients were identified in Moschus and Borneolum Syntheticum. Key active ingredients included baicalein,testosterone,pinosylvin,N-demethylnuciferine,etc.,which mainly acted on core targets such as SRC,STAT3,HSP90AA1,AKT1,and GABRA1,involving signaling pathways such as neuroactive ligandreceptor interaction, calcium signaling pathway, and serotonergic synapse. Molecular docking demonstrated favorable binding activity between the major active ingredients and the core targets. Conclusion Moschus and Borneolum Syntheticum may exert their awakening-promoting effects after anesthesia through a multi-component, multi-target, and multi-pathway synergistic mechanism. This is likely mediated by active ingredients such as baicalein,testosterone,pinosylvin,and N-demethylnuciferine,acting on core targets including SRC,STAT3, HSP90AA1, AKT1, and GABRA1, and regulating signaling pathways such as neuroactive ligand-receptor interaction,calcium signaling,and serotonergic synapse.
[中图分类号]
R285
[基金项目]
广东省中医药局应用研究项目(编号:20211033);中医药创新团队与人才支持计划 (编号:ZYYCXTU-D-202203)