Network pharmacology and molecular docking technology research on the mechanism of Chuanxiong in the treatment of atherosclerosis
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1.Heilongjiang University of Chinese Medicine, Harbin, Heilongjiang 150036;2.The First Affiliated Hospital, Heilongjiang University of Chinese Medicine, Harbin, Heilongjiang 150036;3.Baotou Medical College, Baotou, Inner Mongolia 014040, China)

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R5

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    Abstract:

    Aim To investigate the mechanism of Chuanxiong in the treatment of atherosclerosis (As) based on network pharmacology and molecular docking. Methods TCMSP database was used to screen the active components of Chuanxiong, and Swiss target prediction was used to predict the drug targets. The relevant targets of As were screened in the databases of DrugBank and DisGeNET. The target protein interaction network was constructed by STRING, and the network was drawn by Cytoscape and analyzed by topology. Omicshare was used for GO enrichment analysis and KEGG enrichment analysis. DockThor was used for molecular docking. Results 167 related therapeutic targets were obtained. 46 targets, including CASR and MAPK3 etc. were found to be the core targets by network topology analysis. GO enrichment analysis showed that Chuanxiong could affect the occurrence and development of As in biological process, molecular function and cell composition. KEGG pathway enrichment analysis showed that Chuanxiong might play a role in the treatment of As by regulating multiple metabolic pathways such as neuroactive ligand receptor interaction and calcium signaling pathway etc. Conclusions By using network pharmacology method, it was confirmed that Chuanxiong had the characteristics of multi-channel and multi-target action in the treatment of As. The possible mechanism of Chuanxiong in the treatment of As was predicted, which provided a reference and theoretical basis for its subsequent basic research.

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MENG Tianwei, JIANG Nan, YANG Xinxin, LI Chengjia, ZHOU Yabin, LIU Yingzhe, WANG He, CHANG Hong. Network pharmacology and molecular docking technology research on the mechanism of Chuanxiong in the treatment of atherosclerosis[J]. Editorial Office of Chinese Journal of Arteriosclerosis,2021,29(9):761-769.

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History
  • Received:March 23,2021
  • Revised:May 13,2021
  • Adopted:
  • Online: August 10,2021
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