李磊, 图门巴雅尔, 李培锋, 刘畅, 李升和, 宁康健, 姜锦鹏. 牛磺鹅去氧胆酸抗炎作用机制的网络药理学研究J. 药学学报, 2018,53(12): 2064-2075. doi: 10.16438/j.0513-4870.2018-0600
引用本文: 李磊, 图门巴雅尔, 李培锋, 刘畅, 李升和, 宁康健, 姜锦鹏. 牛磺鹅去氧胆酸抗炎作用机制的网络药理学研究J. 药学学报, 2018,53(12): 2064-2075. doi: 10.16438/j.0513-4870.2018-0600
LI Lei, TUMEN Ba-ya-er, LI Pei-feng, LIU Chang, LI Sheng-he, NING Kang-jian, JIANG Jin-peng. Mechanisms of anti-inflammation of taurochenodeoxycholic acid based on network pharmacologyJ. Acta Pharmaceutica Sinica, 2018,53(12): 2064-2075. doi: 10.16438/j.0513-4870.2018-0600
Citation: LI Lei, TUMEN Ba-ya-er, LI Pei-feng, LIU Chang, LI Sheng-he, NING Kang-jian, JIANG Jin-peng. Mechanisms of anti-inflammation of taurochenodeoxycholic acid based on network pharmacologyJ. Acta Pharmaceutica Sinica, 2018,53(12): 2064-2075. doi: 10.16438/j.0513-4870.2018-0600

牛磺鹅去氧胆酸抗炎作用机制的网络药理学研究

Mechanisms of anti-inflammation of taurochenodeoxycholic acid based on network pharmacology

  • 摘要: 为了探讨牛磺鹅去氧胆酸(taurochenodeoxycholic acid,TCDCA)的抗炎作用机制,通过PubChem查找TCDCA的分子结构并下载SDF格式文件,经PharmMapper服务器、GeneCards数据库预测并筛选TCDCA抗炎靶点。将靶点导入STRING数据库得到蛋白互作关系并通过Cytoscape进行可视化处理,然后将靶点导入STRING数据库进行GO及KEGG通路分析,通过分子对接对TCDCA与主要靶点结合活性进行验证,并通过DisGeNET数据库获取靶点类型信息。筛选得到TCDCA涉及抗炎作用的靶点89个,网络分析结果表明,TCDCA主要涉及刺激反应(response to stimulus)、多细胞生物过程(multicellular organismal process)、单细胞生物过程(single-multicellular organism process)、对化学刺激反应(response to chemical)及有机物反应(response to organic substance)等68个生物过程,通过调节癌症相关通路(pathways in cancer)、孕酮介导的卵母细胞成熟(progesterone-mediated oocyte maturation)、MAPK信号通路(MAPK signaling pathway)、蛋白多糖在癌症中的作用(proteoglycans in cancer)等51条信号通路来发挥抗炎作用。本研究反映出TCDCA经多靶点、多途径发挥抗炎作用的特点,为后续开展其抗炎作用机制的研究指明了方向。

     

    Abstract: To investigate the anti-inflammatory mechanisms of taurochenodeoxycholic acid (TCDCA), the molecule structure file of TCDCA was downloaded from PubChem database, PharmMapper and GeneCards were used to predict and screen the targets of TCDCA. STRING database and Cytoscape software were used to construct protein interactions network. GO and KEGG analysis was preformed through STRING database. The key targets were validated by molecular docking and the targets type was attributed by DisGeNET database. The network showed that 89 targets were involved in 68 biological processes including response to stimulus, multicellular organismal process, single-multicellular organism process, response to chemical, response to organic substance, by adjusting 51 signaling pathways, such as pathways in cancer, progesterone-mediated oocyte maturation, MAPK signaling pathway, proteoglycans in cancer. These findings provide an overview of anti-inflammation of TCDCA, which reflects the characteristic of multi-targets and multi-pathways of TCDCA. It pointed out the direction for further research on anti-inflammatory mechanism of TCDCA.

     

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