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.

    Reference
    [1] ZHOU M, WANG H, ZENG X, et al.Mortality, morbidity, and risk factors in China and its provinces, 1990-2017:a systematic analysis for the Global Burden of Disease Study 2017.Lancet, 9,4(1204):1145-1158.
    [2] 陈纪林.防治动脉粥样硬化的新动向.中国循环杂志, 1,6(3):163-163.
    [3] 刘美之, 郎艳松, 张鑫月, 等.从痰、瘀、毒论治动脉粥样硬化研究进展.中医杂志, 4,5(9):800-803.
    [4] 张翠英, 章洪, 戚琼华.川芎的有效成分及药理研究进展.辽宁中医杂志, 4,1(10):2264-2266.
    [5] 朱尧, 刘溦溦, 顾宁, 等.川芎的活性成分及其心血管系统保护作用研究进展.时珍国医国药, 6,7(7):1701-1704.
    [6] RU J, LI P, WANG J, et al.TCMSP:a database of systems pharmacology for drug discovery from herbal medicines.J Cheminform, 4,6(1):13.
    [7] VEBER D F, JOHNSON S R, CHENG H Y, et al.Molecular properties that influence the oral bioavailability of drug candidates.J Med Chem, 2,5(12):2615-2623.
    [8] WANG Y, XIAO J, SUZEK T O, et al.PubChem:a public information system for analyzing bioactivities of small molecules.Nucleic Acids Res, 9,7(Web Server issue):W623-W633.
    [9] GFELLER D, GROSDIDIER A, WIRTH M, et al.SwissTargetPrediction:a web server for target prediction of bioactive small molecules.Nucleic Acids Res, 4,2(Web Server issue):W32-W38.
    [10] BAUER-MEHREN A, RAUTSCHKA M, SANZ F, et al.DisGeNET:a cytoscape plugin to visualize, integrate, search and analyze gene-disease networks.Bioinformatics, 0,6(22):2924-2926.
    [11] WISHART D S, KNOX C, GUO A C, et al.DrugBank:a knowledgebase for drugs, drug actions and drug targets.Nucleic Acids Res, 8,6(Database issue):D901-D906.
    [12] FRANCESCHINI A, SZKLARCZYK D, FRANKILD S, et al.STRING v9.1:protein-protein interaction networks, with increased coverage and integration.Nucleic Acids Res, 3,1(Database issue):D808-D815.
    [13] SHANNON P, MARKIEL A, OZIER O, et al.Cytoscape:a software environment for integrated models of biomolecular interaction networks.Genome Res, 3,3(11):2498-2504.
    [14] SMEDLEY D, HAIDER S, BALLESTER B, et al.BioMart--biological queries made easy.BMC Genomics, 9,0(1):22.
    [15] SEELIGER D, DE GROOT B L.Ligand docking and binding site analysis with PyMOL and Autodock/Vina.J Comput Aided Mol Des, 0,4(5):417-422.
    [16] XIE S Q, CHENG W J, ZHU J, et al.Research progression on the mechanism of atherosclerosis.World J Complex Med, 6,2:85-90.
    [17] Ross R.Atherosclerosis--an inflammatory disease.N Engl J Med, 9,0(2):115-126.
    [18] 罗仁书, 何治勇.川芎有效成分药理作用的研究进展.中国医院用药评价与分析, 8,8(9):1294-1296.
    [19] FENG L, XIONG Y, CHENG F, et al.Effect of ligustrazine on ischemia-reperfusion injury in murine kidney.Transplant Proc, 4,6(7):1949-1951.
    [20] FENG L, KE N W, CHENG F, et al.The protective mechanism of ligustrazine against renal ischemia/reperfusion injury.J Surg Res, 1,6(2):298-305.
    [21] YANG L, LIAN Z, ZHANG B, et al.Effect of ligustrazine nanoparticles on Th1/Th2 balance by TLR4/MyD88/NF-κB pathway in rats with postoperative peritoneal adhesion.BMC Surg, 1,1(1):211.
    [22] SENTHIL R, SAKTHIVEL M, USHA S.Structure-based drug design of peroxisome proliferator-activated receptor gamma inhibitors:ferulic acid and derivatives.J Biomol Struct Dyn, 1,9(4):1295-1311.
    [23] BAI M, QUINN S, TRIVEDI S, et al.Expression and charac-terization of inactivating and activating mutations in the human Ca2+-sensing receptor.J Biol Chem, 6,1(19):537-545.
    [24] BAI M.Structure and function of the extracellular.Int J Mol Med, 9,4:115-125.
    [25] 裴天仙, 王晶晶, 郭景玥, 等.钙敏感受体在动脉粥样硬化大鼠血管内皮细胞中的表达.中国动脉硬化杂志, 1,9(3):176-180.
    [26] KLINGHOFFER R A, SACHSENMAIER C, COOPER J A, et al.Src family kinases are required for integrin but not PDGFR signal transduction.EMBO J, 9,8(9):2459-2471.
    [27] LAUSS M, KRIEGNER A, VIERLINGER K, et al.Characterization of the drugged human genome.Pharmacogenomics, 7,8(8):1063-1073.
    [28] 潘玲珍, 闫智勇, 左长英, 等.长期使用地西泮对神经活性配体受体相互作用信号通路的影响.中国药科大学学报, 1,2(5):443-446.
    [29] 涂俊.钙拮抗剂在心血管疾病中的作用机制及其不良反应预防措施研究.临床合理用药杂志, 7,0(27):120-122.
    [30] MAK S, SUN H, ACEVEDO F, et al.Differential expression of genes in the calcium-signaling pathway underlies lesion development in the LDb mouse model of atherosclerosis.Atherosclerosis, 0,3(1):40-51.
    [31] 杨新玲.长非编码RNAs与癌症通路.生理科学进展, 7,8(4):309-314.
    [32] ZHANG D, LV F L, WANG G H.Effects of HIF-1α on diabetic retinopathy angiogenesis and VEGF expression.Eur Rev Med Pharmacol Sci, 8,2(16):5071-5076.
    [33] CHENG L, YU H, YAN N, et al.Hypoxia-inducible factor-1α target genes contribute to retinal neuroprotection.Front Cell Neurosci, 7,1:20.
    [34] GAO L, CHEN Q, ZHOU X, et al.The role of hypoxia-inducible factor 1 in atherosclerosis.J Clin Pathol, 2,5(10):872-876.
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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
  • Online: August 10,2021
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