数字中医药（英文）2020，Vol.3Issue(3)：163-179,17.DOI:10.1016/j.dcmed.2020.09.003
基于网络药理学探讨麻杏石甘汤治疗流感的作用机制
A Network Pharmacology Study on the Effects of Ma Xing Shi Gan Decoction on Influenza
摘要
Abstract
Objective Pharmacological methods were used to screen targets and signaling pathways of Ma Xing Shi Gan Decoction (MXSGD) during influenza treatments, and mechanisms underlying anti-influenza effects were elucidated. Methods The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and relevant literature were searched under predefined conditions to identify the main compounds and their targets. Interactions between the target proteins were predicted using the STRING database. Gene Ontology (GO) functional enrichment analyses and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses were performed on the core targets involved in the influenza protein-protein interaction (PPI) network, using WebGestalt and the reactome database. iGEMDOCK was used for molecular docking of receptors and ligands to produce docking scores, and the results were visualized using Autodock and PyMOL. Results In total, 126 major compounds and their respective targets were screened. 355 influenza target proteins and 1 221 influenza protein interactions were predicted using the STRING database. Influenza-related signaling pathways were strongly enriched in pharmacodynamic targets of MXSGD such as cytokine signaling in immune system and signaling by inter-leukin. The main biological process was response to the stimulates. Molecular docking results showed that RELA-Licochalcone A docking elicited by MXSGD, was superior to that of other target proteins and active compounds, suggesting that the docking site is also the main effector site of MXSGD during influenza treatments. Conclusions The results showed that MXSGD exerts anti-influenza effects by interfering with virus adsorption, inhibiting virus proliferation, influencing immune functions and protecting host cells, which may prevent inflammation-induced tissue damage.关键词
网络药理学/麻杏石甘汤/流感/Cytoscape/iGEMDOCK/RELA-甘草查尔酮AKey words
Network pharmacology/Ma Xing Shi Gan Decoction(MXSGD)/Influenza/Cytoscape/iGEMDOCK/RELA-Licochalcone A引用本文复制引用
龙茜,刘乐平,徐昕怡,李玲,张国民..基于网络药理学探讨麻杏石甘汤治疗流感的作用机制[J].数字中医药（英文）,2020,3(3):163-179,17.基金项目
We thank for the funding support from the National Natural Science Foundation of China (No. 81973670), the Natural Science Foundation of Hunan Province (No. 2018JJ2297), the Key Program of Scientific Research Fund of Hunan Provincial Education Department (No. 19A370) and the Project of Research Learning and Innovative Experiment for College Students in Hunan (No. 2016284, No. 2016281, No. 2017281and No. 2018420). （No. 81973670）
