摘要
目的 采用生物信息学分析手段探讨芍麻止痉颗粒(SMZJG)治疗抽动秽语综合征(TS)的作用机制。方法 结合生物信息学和分子对接技术筛选活性化合物和候选靶点,进行通路富集分析,以解释SMZJG对TS的作用机制。结果 生物信息学分析筛选得到92个关键靶点,提示这些靶点在SMZJG治疗TS中可能发挥重要作用。GO功能分析表明,SMZJG对TS的治疗效果可能与突触传递、神经元突触可塑性调节有关。KEGG分析得到神经活性配体-受体相互作用、cAMP信号通路、钙信号通路等多条信号通路。最后以其中8个潜在活性成分与相对应的TS相关靶点进行分子对接,发现天麻素、芍药苷、钩藤碱等多个成分均表现出较好的亲和力,表明其与TS已知靶标有直接作用关系。结论 SMZJG可基于其药理特性,通过多成分协同作用,多靶点及多通路间的复杂网络调控机制,发挥治疗TS的作用。
Objective To explore the mechanism of Shaoma Zhijing granules(SMZJG)in treating tourette syndrome(TS)by using bioinformatics analysis methods.Methods Bioinformatics and molecular docking techniques were integrated to screen the active compounds and candidate targets,and the pathway enrichment analysis was performed to explain the mechanism of SMZJG against TS.Results A total of 92 pivotal targets were screened by bioinformatics analysis,suggesting their potential role in SMZJG’s therapeutic effect on TS.GO function analysis revealed that the therapeutic effect of SMZJG on TS was possibly associated with synaptic transmission and regulation of neuronal synaptic plasticity.KEGG analysis obtained multiple signaling pathways such as neuroactive ligand-receptor interaction,cAMP signaling pathway,and calcium signaling pathway.Molecular docking was carried out with 8 main active ingredients with corresponding TS-related targets.It was found that several ingredients,such as gastrodin,paeoniflorin and rhynchophylline,showed good affinity,suggesting a direct-action relationship with the known targets of TS.Conclusions Based on its pharmacological characteristics,SMZJG can exert a therapeutic effect on TS through the synergistic effect of multiple components and a complex network of interaction mechanisms among multi-targets and pathways.
作者
王嘉欢
仲博
王晓敏
WANG Jiahuan;ZHONG Bo;WANG Xiaomin(Department of Pharmacy,Characteristics Medical Center of Chinese People’s Armed Police Force,Tianjin 300162,China;Department of Military Medical Service,Logistics University of Chinese People’s Armed Police Force,Tianjin 300309,China;School of Integrative Medicine,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China)
出处
《武警医学》
2025年第11期970-977,共8页
Medical Journal of the Chinese People's Armed Police Force
基金
天津市卫健委中医中西医结合科研项目(2023144)
