Song Yong-Jia, Bao Jia-Min, Zhou Long-Yun, Li Gan, Sng Kim Sia, Wang Yong-Jun, Shi Qi, Cui Xue-Jun
Spine Disease Institute, Longhua Hospital, Shanghai University of Traditional Chinese Medicine, Shanghai 200032, China.
Key Laboratory of Theory and Therapy of Muscles and Bones, Ministry of Education, Shanghai University of Traditional Chinese Medicine, Shanghai 200032, China.
Evid Based Complement Alternat Med. 2020 May 4;2020:7193832. doi: 10.1155/2020/7193832. eCollection 2020.
Qi She Pill (QSP) is a traditional prescription for the treatment of neuropathic pain (NP) that is widely used in China. However, no network pharmacology studies of QSP in the treatment of NP have been conducted to date.
To verify the potential pharmacological effects of QSP on NP, its components were analyzed via target docking and network analysis, and network pharmacology methods were used to study the interactions of its components.
Information on pharmaceutically active compounds in QSP and gene information related to NP were obtained from public databases, and a compound-target network and protein-protein interaction network were constructed to study the mechanism of action of QSP in the treatment of NP. The mechanism of action of QSP in the treatment of NP was analyzed via Gene Ontology (GO) biological process annotation and Kyoto Gene and Genomics Encyclopedia (KEGG) pathway enrichment, and the drug-like component-target-pathway network was constructed.
The compound-target network contained 60 compounds and 444 corresponding targets. The key active compounds included quercetin and beta-sitosterol. Key targets included PTGS2 and PTGS1. The protein-protein interaction network of the active ingredients of QSP in the treatment of NP featured 48 proteins, including DRD2, CHRM, 2-adrenergic receptor, HTR2A, and calcitonin gene-related peptide. In total, 53 GO entries, including 35 biological process items, 7 molecular function items, and 11 cell related items, were identified. In addition, eight relevant (KEGG) pathways were identified, including calcium, neuroactive ligand-receptor interaction, and cAMP signaling pathways.
Network pharmacology can help clarify the role and mechanism of QSP in the treatment of NP and provide a foundation for further research.
蕲蛇丸(QSP)是一种在中国广泛用于治疗神经性疼痛(NP)的传统方剂。然而,迄今为止尚未对QSP治疗NP进行网络药理学研究。
为验证QSP对NP的潜在药理作用,通过靶点对接和网络分析对其成分进行分析,并采用网络药理学方法研究其成分间的相互作用。
从公共数据库获取QSP中具有药理活性的化合物信息及与NP相关的基因信息,构建化合物-靶点网络和蛋白质-蛋白质相互作用网络,以研究QSP治疗NP的作用机制。通过基因本体论(GO)生物学过程注释和京都基因与基因组百科全书(KEGG)通路富集分析QSP治疗NP的作用机制,并构建类药成分-靶点-通路网络。
化合物-靶点网络包含60种化合物和444个相应靶点。关键活性化合物包括槲皮素和β-谷甾醇。关键靶点包括PTGS2和PTGS1。QSP治疗NP的活性成分的蛋白质-蛋白质相互作用网络中有48种蛋白质,包括DRD2、CHRM、β-肾上腺素能受体、HTR2A和降钙素基因相关肽。共鉴定出53个GO条目,包括35个生物学过程条目、7个分子功能条目和11个细胞相关条目。此外,还鉴定出8条相关的KEGG通路,包括钙、神经活性配体-受体相互作用和cAMP信号通路。
网络药理学有助于阐明QSP在治疗NP中的作用和机制,为进一步研究提供基础。