[1]张科楠,袁倩文.基于网络药理学探讨栀子治疗溃疡性结肠炎的作用机制[J].医学信息,2023,36(05):22-28.[doi:10.3969/j.issn.1006-1959.2023.05.004]
　ZHANG Ke-nan,YUAN Qian-wen.Pharmacological Mechanism of Cape Jasmine Fruit in the Treatment of Ulcerative Colitis Based on Network Pharmacology[J].Journal of Medical Information,2023,36(05):22-28.[doi:10.3969/j.issn.1006-1959.2023.05.004]
点击复制

基于网络药理学探讨栀子治疗溃疡性结肠炎的作用机制()
分享到：

医学信息[ISSN:1006-1959/CN:61-1278/R]

卷:
36卷
期数:
2023年05期
页码:
22-28
栏目:
中医药信息学
出版日期:
2023-03-01

文章信息/Info

Title:
Pharmacological Mechanism of Cape Jasmine Fruit in the Treatment of Ulcerative Colitis Based on Network Pharmacology
文章编号:
1006-1959（2023）05-0022-07
作者:
张科楠; 袁倩文
（1.北京中医药大学孙思邈医院药学部，陕西 铜川 727100；2.铜川市中医医院针灸推拿科，陕西 铜川 727100）
Author(s):
ZHANG Ke-nan; YUAN Qian-wen
(1.Department of Pharmacy,Beijing University of Chinese Medicine Sun Simiao Hospital,Tongchuan 727100,Shaanxi,China;2.Department of Acupuncture and Massage,Tongchuan Traditional Chinese Medicine Hospital,Tongchuan 727100,Shaanxi,China)
关键词:
栀子; 溃疡性结肠炎; 网络药理学; 分子对接
Keywords:
Cape jasmine fruit; Ulcerative colitis; Network pharmacology; Molecular docking
分类号:
R285
DOI:
10.3969/j.issn.1006-1959.2023.05.004
文献标志码:
A
摘要:
目的 采用网络药理学和分子对接技术探究栀子治疗溃疡性结肠炎（UC）的作用机制。方法 利用TCMSP数据库、文献挖掘整理栀子化学成分，从PharmMapper获取活性成分的靶点；利用GeneCards、OMIM、drugbank、TTD数据库收集UC的相关靶点；Veen工具筛选交集靶点，利用String数据库和Cytoscape3.7.2软件构建蛋白互作（PPI）网络，筛选核心靶点，通过metascape进行基因本体功能富集分析（GO）和基因组百科全书通路富集分析（KEGG），最后利用AutoDock软件对核心靶标进行分子对接。结果 筛选出栀子18个有效活性成分，作用靶点253个，与UC相关靶点128个，TNF、IL6、AKT1、IL1B、TP53等为关键靶点。KEGG通路显示AGE-RAGE、1L-17、TNF通路等为栀子治疗UC主要通路。分子对接结果显示化合物与关键靶点有较好的结合能力。结论 初步揭示栀子可通过多成分-多靶点-多通路治疗UC，为栀子的深入临床研究提供了理论基础。
Abstract:
Objective To explore the mechanism of cape jasmine fruit in the treatment of ulcerative colitis (UC) by network pharmacology and molecular docking technology.Methods TCMSP database and literature mining were used to sort out the chemical constituents of cape jasmine fruit, and the targets of active ingredients were obtained from PharmMapper. GeneCards, OMIM, drugbank and TTD databases were used to collect relevant targets of UC. The Veen tool was used to screen the intersection targets, and the protein interaction (PPI) network was constructed by using String database and Cytoscape 3.7.2 software to screen the core targets. The gene ontology (GO) function enrichment analysis and Kyoto encyclopedia of genes and genomes analysis (KEGG) were performed by metascape. Finally, AutoDock software was used to perform molecular docking on the core targets.Results A total of 18 effective active components of cape jasmine fruit were screened, including 253 targets and 128 UC-related targets. TNF, IL6, AKT1, IL1 B and TP53 were the key targets. The KEGG pathway showed that AGE-RAGE, 1L-17 and TNF pathways were the main pathways for cape jasmine fruit to treat UC. Molecular docking results showed that the compounds had good binding ability with key targets.Conclusion It is preliminarily revealed that cape jasmine fruit can treat UC through multi-component, multi-target and multi-pathway, which provides a theoretical basis for the in-depth clinical research of cape jasmine fruit.

参考文献/References:

[1]刘朝,杨金生,吴远,等.基于数据挖掘的针灸治疗溃疡性结肠炎的诊疗现状与特点[J].中华中医药杂志,2015,30(11):3893-3897.[2]Cui G,Yuan A.A systematic review of epidemiology and risk factors associated with Chinese inflammatory bowel disease[J].Front Med,2018,5:183.[3]Lillian D,Christina H.Epidemiology and Pathogenesis of Ulcerative Colitis[J].Gastroenterology Clinics of North America,2020,49(4):643-654.[4]Antonio DS,Biancheri P,Rovedatti L,et al.Recent advances in understanding ulcerative colitis[J].Internal and Emergency Medicine,2012,7(2):103-111.[5]Sun Y,Duan B,Chen H,et al.A novel strategy for treating inflammatory bowel disease by targeting delivery of methotrexate through glucan particles[J].Advanced Healthcare Materials,2020,9(6):1901805.[6]Kou FS,Lei S,Li JX,et al.Clinical evaluation of traditional Chinese medicine on mild active ulcerative colitis:A multi-center,randomized,double-blind,controlled trial[J].Medicine,2020,99(35):21903-21908.[7]Mayu N,Keiji H,Yasuji D.Pulmonary Arterial Hypertension Associated With the Chinese Herb Indigo Naturalis for Ulcerative Colitis:It May Be Reversible[J].Gastroenterology,2018,155(2):577-578.[8]国家药典委员会.中华人民共和国药典:一部[S]北京:中国医药科技出版社,2020:259-260.[9]史永平,孔浩天,李昊楠,等.栀子的化学成分、药理作用研究进展及质量标志物预测分析[J].中草药,2019,50(2):281-289.[10]Fei Y,Liu JH.Research and application progress of Gardenia jasminoides[J].Chinese Herbal Medicines,2018,10(4):362-370.[11]苏文钊.栀子西红花苷和环烯醚萜苷药理活性及药代动力学研究[D].遵义:遵义医学院,2017.[12]陈亮.栀子品质评价及相关药效学研究[D].福州:福建中医药大学,2014.[13]陈丽萍,王先敏,李茂星,等.栀子中抗氧化的活性成分研究[J].华西药学杂志,2018,33(2):179-182.[14]傅阳,袁培培,曹彦刚,等.水栀子活性组分利尿降压作用研究[J].中国新药杂志,2020,29(16):1877-1885.[15]Xu B,Li YL,Xu M,et al.Geniposide ameliorates TNBS-induced experimental colitis in rats via reducing inflammatory cytokine release and restoring impaired intestinal barrier function[J].Acta Pharmacologica Sinica,2017,38(5):688-698.[16]莫霏霏,周晶晶,金玲玲,等.栀子苷对溃疡性结肠炎模型大鼠的抗炎作用及AMPK/MLCK信号通路的影响[J].浙江中西医结合杂志,2021,31(5):418-424.[17]杨超,刘婧,钟瑞,等.栀子有效部位的溃疡性结肠炎活性及其化学成分研究[J].中国药理学通报,2021,37(2):263-269.[18]Zhang Z,Li Y,Shen P,et al.Administration of geniposide ameliorates dextran sulfate sodium-induced colitis in mice via inhibition of inflammation and mucosal damage[J].International Immunopharmacology,2017,49:168-177.[19]Xu X,Zhang W,Huang C,et al.A novel chemometric method for the prediction of human oral bioavailability[J].International Journal of Molecular Sciences,2012,13(6):6964-6982.[20]Marija L,Ivana B,Natasa S,et al.Antioxidant and anti-inflammatory activities of quercetin and its derivatives[J].Journal of Functional Foods,2017,40:68-75.[21]曲一帆.山奈酚缓解小鼠溃疡性结肠炎的肠道微生态机理研究[D].呼和浩特:内蒙古医科大学,2021.[22]刘涛,陈新怡,朱晓彤,等.溃疡性结肠炎的关键致病基因及治疗中药活性成分筛选[J].山东医药,2021,61(18):33-38.[23]Sotnikova R,Nosalova V,Navarova J.Efficacy of quercetin derivatives in prevention of ulcerative colitis in rats[J].Interdisciplinary Toxicology,2013,6(1):9-12.[24]董丽华.叉分蓼抗溃疡性结肠炎的物质基础与作用机制研究[D].南昌:江西中医药大学,2019.[25]Park MY,Ji GE,Sung MK.Dietary kaempferol suppresses inflammation of dextran sulfate sodium-induced colitis in mice[J].Digestive Diseases and Sciences,2012,57(2):355-363.[26]杨敏杰,刘伟,涂宏飞,等.藏红花素保护溃疡性结肠炎模型大鼠的作用及相关机制[J].中国组织工程研究,2020,24(29):4673-4679.[27]Lu Y,Chen J,He X,et al.Combined Administration of Vitamin D3 and Geniposide Is Less Effective than Single Use of Vitamin D3 or Geniposide in the Treatment of Ulcerative Colitis[J].Frontiers in Pharmacology,2021,12:714065-714065.[28]Sudhamalla B,Gokara M,Ahalawat N,et al.Molecular dynamics simulation and binding studies of beta-sitosterol with human serum albumin and its biological relevance[J].The Journal of Physical Chemistry B,2010,114(27):9054-9062.[29]Jae HC,Joo SK,Jung MK,et al.Plant sterol guggulsterone inhibits nuclear factor-kappa B signaling in intestinal epithelial cells by blocking I kappa B kinase and ameliorates acute murine colitis[J].Inflammatory Bowel Diseases,2006,12(12):1152-1161.[30]Khan N,Patel D,Shah Y,et al.Albumin as a prognostic marker for ulcerative colitis[J].World J Gastroenterol,2017,23(45):8008-8016.[31]Malgorzata KK,Radoslaw K,Mariusz B,et al.Biochemical biomarkers of mucosal healing for inflammatory bowel disease in adults[J].Diagnostics,2020,10(6):367.[32]Biancone L,Ardizzone S,Armuzzi A,et al.Ustekinumab for treating ulcerative colitis:an expert opinion[J].Expert Opin Biol Ther,2020,20(11):1321-1329.[33]Anna N,Eleonora C,Maria P,et al.RIP3 AND pMLKL promote necroptosis-induced inflammation and alter membrane permeability in intestinal epithelial cells[J].Dig Liver Dis,2017,49(11):1201-1210.[34]Bai XS,Bai G,Tang LD,et al.MiR-195 alleviates ulcerative colitis in rats via MAPK signaling pathway[J].Eur Rev Med Pharmacol Sci,2020,24(5):2640-2646.[35]王少鑫,浦江,刘超群,等.炎症因子TNF-α、IL-6和IL-4在溃疡性结肠炎中的表达及临床意义[J].胃肠病学和肝病学杂志,2015,24(1):104-106.[36]Rona Y,Chatila WK,Lipsyc MD,et al.Clinical sequencing defines the genomic landscape of metastatic colorectal cancer[J].Cancer Cell,2018,33(1):125-136.[37]黄梅,颜景颖.基于NF-κB/COX-2信号通路探讨芍药内酯苷对溃疡性结肠炎模型大鼠的影响[J].中医学报,2022,37(2):365-370.[38]王惟浩,宋旭娇,马浩.网络药理学联合分子对接技术探究固肠止泻丸治疗溃疡性结肠炎的作用机制[J].井冈山大学学报,2022,43(3):86-93.[39]Kazuhiro K,Hiroyuki T,Masahito S,et al.p53 Expression as a Diagnostic Biomarker in Ulcerative Colitis-Associated Cancer[J].Int J Mol Sci,2017,18(6):1284.[40]Leppkes M,Roulis M,Neurath MF,et al.Pleiotropic functions of TNF-α in the regulation of the intestinal epithelial response to inflammation[J].International Immunology,2014.26(9):509-515.[41]Alessandra G,Carolina V,Arancibia C.Innate Lymphoid Cells in Intestinal Inflammation[J].Frontiers in Immunology,2017,8:1296.[42]Wang Z, Zhang J,Chen L,et al.Glycine Suppresses AGE/RAGE Signaling Pathway and Subsequent Oxidative Stress by Restoring Glo1 Function in the Aorta of Diabetic Rats and in HUVECs[J].Oxidative Medicine and Cellular Longevity,2019:462896

相似文献/References:

[1]杜丽君.穴位埋线疗法联合口服美沙拉嗪治疗溃疡性结肠炎的 护理分析[J].医学信息,2018,31(05):172.[doi:10.3969/j.issn.1006-1959.2018.05.063]
　DU Li-jun.Nursing Analysis of Acupoint Catgut Embedding Therapy Combined with Oral Mesalazine in the Treatment of Ulcerative Colitis[J].Journal of Medical Information,2018,31(05):172.[doi:10.3969/j.issn.1006-1959.2018.05.063]
[2]张君红,李洪梅,井 洁,等.溃疡性结肠炎中西医结合治疗研究[J].医学信息,2018,31(09):59.[doi:10.3969/j.issn.1006-1959.2018.09.019]
　ZHANG Jun-hong,LI Hong-mei,JING Jie,et al.Study on the Treatment of Ulcerative Colitis with Integrated Traditional Chinese and Western Medicine[J].Journal of Medical Information,2018,31(05):59.[doi:10.3969/j.issn.1006-1959.2018.09.019]
[3]汤胜男,赵党生,王凤仪,等.芍药汤治疗溃疡性结肠炎的研究[J].医学信息,2019,32(15):3.[doi:10.3969/j.issn.1006-1959.2019.15.002]
　TANG Sheng-nan,ZHAO Dang-sheng,WANG Feng-yi,et al.Study on Treating Ulcerative Colitis with Shaoyao Decoction[J].Journal of Medical Information,2019,32(05):3.[doi:10.3969/j.issn.1006-1959.2019.15.002]
[4]华 琳,陈元旺,唐 静,等.溃疡性结肠炎患者外周血Tim-4 mRNA表达水平的变化及意义[J].医学信息,2019,32(21):161.[doi:10.3969/j.issn.1006-1959.2019.21.054]
　HUA Lin,CHEN Yuan-wang,TANG Jing,et al.Changes and Significance of Tim-4 mRNA Expression in Peripheral Blood of Patients with Ulcerative Colitis[J].Journal of Medical Information,2019,32(05):161.[doi:10.3969/j.issn.1006-1959.2019.21.054]
[5]徐 杰.美沙拉嗪与柳氮磺吡啶治疗溃疡性结肠炎的效果比较[J].医学信息,2020,33(04):151.[doi:10.3969/j.issn.1006-1959.2020.04.049]
　XU Jie.Comparison of Mesalazine and Sulfasalazine in Treating Ulcerative Colitis[J].Journal of Medical Information,2020,33(05):151.[doi:10.3969/j.issn.1006-1959.2020.04.049]
[6]牙韩清,郑琴芳,何志钧.溃疡性结肠炎相关结直肠癌手术治疗现况[J].医学信息,2020,33(07):44.[doi:10.3969/j.issn.1006-1959.2020.07.014]
　YA Han-qing,ZHENG Qin-fang,HE Zhi-jun.Surgical Treatment of Ulcerative Colitis-related Colorectal Cancer[J].Journal of Medical Information,2020,33(05):44.[doi:10.3969/j.issn.1006-1959.2020.07.014]
[7]王莹洁,戴迟兵.益生菌在炎症性肠病中的应用研究[J].医学信息,2020,33(22):42.[doi:10.3969/j.issn.1006-1959.2020.22.013]
　WANG Ying-jie,DAI Chi-bing.Study on the Application of Probiotics in Inflammatory Bowel Disease[J].Journal of Medical Information,2020,33(05):42.[doi:10.3969/j.issn.1006-1959.2020.22.013]
[8]朱 燕,刘大铭,刘全喜,等.溃疡性结肠炎中医诊疗思路[J].医学信息,2021,34(03):167.[doi:10.3969/j.issn.1006-1959.2021.03.048]
　ZHU Yan,LIU Da-ming,LIU Quan-xi,et al.TCM Diagnosis and Treatment of Ulcerative Colitis[J].Journal of Medical Information,2021,34(05):167.[doi:10.3969/j.issn.1006-1959.2021.03.048]
[9]勾 熙,叶玉伟,刘 敏,等.血小板与淋巴细胞比值在溃疡性结肠炎患者病情评估中的价值[J].医学信息,2021,34(08):168.[doi:10.3969/j.issn.1006-1959.2021.08.046]
　GOU Xi,YE Yu-wei,LIU Min,et al.The Value of the Ratio of Platelets to Lymphocytes in the Evaluation of Patients with Ulcerative Colitis[J].Journal of Medical Information,2021,34(05):168.[doi:10.3969/j.issn.1006-1959.2021.08.046]
[10]靖 洁.美沙拉嗪联合双歧杆菌三联活菌治疗溃疡性结肠炎的疗效[J].医学信息,2021,34(13):163.[doi:10.3969/j.issn.1006-1959.2021.13.045]
　JING Jie.Efficacy of Mesalazine Combined with Live Bifidobacterium Triple Viable Bacteria in the Treatment of Ulcerative Colitis[J].Journal of Medical Information,2021,34(05):163.[doi:10.3969/j.issn.1006-1959.2021.13.045]

更新日期/Last Update: 1900-01-01