Huang Dan, Wen Xiaolong, Lu Chuansen, Zhang Bo, Fu Zongjun, Huang Yingliu, Niu Kun, Yang Fan
Department of Neurology, Hainan General Hospital, Hainan Affiliated Hospital of Hainan Medical University, Haikou, China.
Department of Pharmacy, The Second Affiliated Hospital of Hainan Medical University, Haikou, China.
Ann Transl Med. 2022 Feb;10(4):216. doi: 10.21037/atm-22-195.
Compound Danshen Dropping Pills (CDDP) is widely used in clinical treatment of epilepsy. But the underlying active ingredients and molecular mechanisms are unclear. Our study aims to investigate the active components and functional mechanisms of CDDP in treating epilepsy using a network pharmacology approach.
Candidate constituents and targets of CDDP were searched on the Traditional Chinese Medicine Systems Pharmacology database. NCBI and Genecards were used to establish a database of epilepsy targets. Next, used Cytoscape software, the interactive network diagram of "drug-active component-target" was drawn. Based on the STRING database we constructed protein-protein interaction network and analyzed protein-protein interaction relationships. Gene ontology analysis and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis were performed for the common targets. Molecular docking provided an evaluation tool for verifying the combination of components and targets, which was performed using Auto-dock.
Sixty bioactive components, corresponding to 79 therapeutic targets for epilepsy, were successfully identified. Functional enrichment analysis showed that CDDP plays a pharmacological role in the treatment of epilepsy by regulating serotonergic synapses, morphine addiction, nicotine addiction and other pathways, as well as the - signaling pathway. Molecular docking analysis showed that representative components may be closely bound to key targets.
This network pharmacology study revealed the synergistic effects of multiple components, targets, and pathways of CDDP in the treatment of epilepsy, which will deepen our understanding of the underlying molecular mechanisms of CDDP in the treatment of epilepsy and lay the foundation for further experimental studies.
复方丹参滴丸（CDDP）广泛应用于癫痫的临床治疗。但其潜在的活性成分和分子机制尚不清楚。我们的研究旨在采用网络药理学方法研究CDDP治疗癫痫的活性成分和作用机制。
在中药系统药理学数据库中检索CDDP的候选成分和靶点。利用NCBI和Genecards建立癫痫靶点数据库。接下来，使用Cytoscape软件绘制“药物-活性成分-靶点”的交互网络图。基于STRING数据库构建蛋白质-蛋白质相互作用网络并分析蛋白质-蛋白质相互作用关系。对共同靶点进行基因本体分析和京都基因与基因组百科全书通路富集分析。分子对接提供了一种验证成分与靶点结合的评估工具，使用Auto-dock进行。
成功鉴定出60种生物活性成分，对应79个癫痫治疗靶点。功能富集分析表明，CDDP通过调节5-羟色胺能突触、吗啡成瘾、尼古丁成瘾等通路以及 - 信号通路在癫痫治疗中发挥药理作用。分子对接分析表明，代表性成分可能与关键靶点紧密结合。
本网络药理学研究揭示了CDDP在癫痫治疗中多种成分、靶点和通路的协同作用，这将加深我们对CDDP治疗癫痫潜在分子机制的理解，并为进一步的实验研究奠定基础。
