Department of Urology, Chongqing Three Gorges Central Hospital, Chongqing, China (mainland).
Department of Pharmacy, Chongqing Three Gorges Central Hospital, Chongqing, China (mainland).
Med Sci Monit. 2020 Apr 3;26:e919360. doi: 10.12659/MSM.919360.
BACKGROUND This study aimed to undertake a network pharmacology analysis to identify the active compounds of the herbal extract Christina Loosestrife, or Lysimachia Christinae (Jin Qian Cao), in the treatment of nephrolithiasis. MATERIAL AND METHODS The active components of Christina Loosestrife were identified from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database and analysis platform and the online Taiwan TCM database. The potentially active compounds were screened based on their parenteral bioavailability identified from the TCMSP database. The PharmMapper integrated pharmacophore matching platform was used for target identification of active compounds in nephrolithiasis. The identified active compounds were validated by molecular docking using the systemsDock network pharmacology website. Biological functions and pathway outcomes of effective targets were analyzed using the Metascape gene annotation resource. The results were used to construct the pharmacological networks, which were visualized and integrated using Cytoscape software. RESULTS There were 16 active compounds of Christina Loosestrife and 11 nephrolithiasis-associated targets that were obtained. Functional enrichment analysis showed that Christina Loosestrife might exert its therapeutic effects by regulating pathways that included purine salvage, interleukin-4 (IL-4) and IL-13 signaling, and neutrophil degranulation. CONCLUSIONS Network pharmacology analysis of the herbal extract, Christina Loosestrife, identified multiple active compounds, targets, and pathways involved in the effects on nephrolithiasis.
本研究旨在通过网络药理学分析,确定石蚕属草药提取物(金钱草)在治疗肾结石中的活性化合物。
从中药系统药理学(TCMSP)数据库和分析平台以及台湾中医药数据库中鉴定石蚕属的活性成分。根据 TCMSP 数据库中确定的肠外生物利用度筛选潜在的活性化合物。利用 PharmMapper 综合药效团匹配平台对肾结石相关的活性化合物进行靶点识别。使用系统 DOCK 网络药理学网站对鉴定出的活性化合物进行分子对接验证。使用 Metascape 基因注释资源分析有效靶点的生物学功能和途径结果。使用 Cytoscape 软件构建药理学网络,并进行可视化和整合。
获得了 16 种金钱草的活性化合物和 11 个肾结石相关的靶点。功能富集分析表明,金钱草可能通过调节包括嘌呤补救、白细胞介素-4(IL-4)和白细胞介素-13 信号以及嗜中性粒细胞脱颗粒等途径发挥其治疗作用。
对草药提取物金钱草的网络药理学分析,确定了多种与肾结石作用相关的活性化合物、靶点和途径。