基于网络药理-分子对接方法研究翅果菊抗抑郁的作用机制  

Mechanism of pterocypsela elata in treatment of depression based on network pharmacology and molecular docking

作　　者：陈奇剑 李春燕 肖先 刘晓龙 薛金涛[1] CHEN Qijian;LI Chunyan;XIAO Xian;LIU Xiaolong;XUE Jintao(School of Pharmacy,Xinxiang Medical University,Henan,Xinxiang 453002,China;Experimental Education Center of Biology and Basic Medical Science,Sanquan College of Xinxiang Medical University,Henan,Xinxiang 453002,China)

机构地区：[1]新乡医学院药学院,河南新乡453002 [2]新乡医学院三全学院生物与基础医学实验教学中心,河南新乡453003

出　　处：《中国医药科学》2022年第15期67-70,共4页China Medicine And Pharmacy

基　　金：河南省重点研发与推广专项(科技攻关)(222102310566)。

摘　　要：目的 采用网络药理学和分子对接方法研究翅果菊抗抑郁作用的活性成分和作用机制。方法 对翅果菊活性成分采用网络药理学方法筛选其作用靶点,并进行富集分析和代谢通路分析,结合分子对接技术进行对接验证。结果 在翅果菊18个活性成分中筛选得到2个活性成分,1个作用靶点和7条作用通路,莴苣苷B和guaianolide I均与γ-氨基丁酸受体亚单位β-3(GABRB3)的11个蛋白受体有良好的结合能力。结论本研究从分子网络层面为翅果菊抗抑郁作用的活性成分和作用机制的深入研究提供了依据和思路。Objective The network pharmacology and molecular docking were jointly used to study the active ingredients and mechanism for Pterocypsela elata on depression. Methods The targets of ingredients from Pterocypsela elata were screened with network pharmacology. Then, the active targets were analyzed by the enrichment analysis and pathway analysis. At last, the molecular docking method was used to confirm the active molecules and targets. Results In the total 18 compounds of Pterocypsela elata, two active compounds, 1 target and 7 signal pathways were screened by network pharmacology. The molecular docking result showed that both lactuside B and guaianolide I had good binding ability with the 11 protein receptors of Gamma-aminobutyric acid receptor subunit beta-3(GABRB3), respectively.Conclusion This study provides the basis for the antidepressant effect of Pterocypsela elata from the perspective of molecular network, and a foundation for further research the active compounds and mechanism.

关 键 词：翅果菊 抑郁症 网络药理学 分子对接 活性成分 机制 

分 类 号：R932[医药卫生—生药学]