[1]王闯红,常旭贞.基于网络药理学和分子对接探讨姜黄素治疗溃疡性结肠炎的分子机制[J].医学信息,2023,36(19):13-18.[doi:10.3969/j.issn.1006-1959.2023.19.004]
　WANG Chuang-hong,CHANG Xu-zhen.Molecular Mechanism of Curcumin in the Treatment of Ulcerative Colitis Based on Network Pharmacology and Molecular Docking[J].Journal of Medical Information,2023,36(19):13-18.[doi:10.3969/j.issn.1006-1959.2023.19.004]
点击复制

基于网络药理学和分子对接探讨姜黄素治疗溃疡性结肠炎的分子机制()
分享到：

医学信息[ISSN:1006-1959/CN:61-1278/R]

卷:
36卷
期数:
2023年19期
页码:
13-18
栏目:
中医药信息学
出版日期:
2023-10-01

文章信息/Info

Title:
Molecular Mechanism of Curcumin in the Treatment of Ulcerative Colitis Based on Network Pharmacology and Molecular Docking
文章编号:
1006-1959（2023）19-0013-06
作者:
王闯红; 常旭贞
（通渭县人民医院普外科1，病理科2，甘肃 通渭 743300）
Author(s):
WANG Chuang-hong; CHANG Xu-zhen
(Department of General Surgery1,Department of Pathology2,the People’s Hospital of Tongwei,Tongwei 743300,Gansu,China)
关键词:
姜黄素; 溃疡性结肠炎; 网络药理学; 分子对接
Keywords:
Curcumin; Ulcerative colitis; Network pharmacology; Molecular docking
分类号:
R392.5
DOI:
10.3969/j.issn.1006-1959.2023.19.004
文献标志码:
A
摘要:
目的 基于网络药理学方法和分子对接技术预测姜黄素改善溃疡性结肠炎（UC）的关键靶点和潜在作用机制。方法 通过数据库筛选获取姜黄素分子靶标及UC疾病靶点，利用Venny 2.1在线平台获取交集靶点，将药物疾病共有靶点导入STRING数据库构建蛋白互作（PPI）网络，借助Cytoscape软件进行拓扑学参数分析并筛选核心靶点，利用DAVID数据库进行GO功能注释和KEGG通路富集分析，最后进行分子对接以预测姜黄素与核心靶标的结合活性。结果 共获得姜黄素潜在作用靶点324个，UC靶点2907个，姜黄素与UC交集靶点168个；通过PPI网络获得姜黄素改善UC的关键靶点，包括SRC、MAPK1、STAT3、AKT1、HSP90AA1和PTPN11，主要涉及细胞凋亡过程负调控、蛋白质磷酸化、癌症相关通路、脂质和动脉粥样硬化、C型凝集素受体信号通路等通路；分子对接结果显示，姜黄素对潜在核心靶点具有良好的亲和力，其中STAT3结合度最高。结论 姜黄素可以通过多靶点、多途径系统地改善UC，为后续运用姜黄素治疗UC的新药开发和临床研究提供了理论依据。
Abstract:
Objective To predict the key targets and potential mechanisms of curcumin in improving ulcerative colitis (UC) based on network pharmacology and molecular docking.Methods Curcumin molecular targets and UC disease targets were obtained through database screening. Venny 2.1 online platform was used to obtain intersection targets. The common targets of drug diseases were imported into STRING database to construct protein interaction (PPI) network. Cytoscape software was used to analyze topological parameters and screen core targets. DAVID database was used for GO function annotation and KEGG pathway enrichment analysis. Finally, molecular docking was performed to predict the binding activity of curcumin and core targets.Results A total of 324 potential targets of curcumin, 2907 UC targets, and 168 intersection targets of curcumin and UC were obtained. The key targets of curcumin to improve UC obtained by PPI network included SRC, MAPK1, STAT3, AKT1, HSP90 AA1 and PTPN11, mainly involving negative regulation of apoptosis process, protein phosphorylation, cancer-related pathways, lipids and atherosclerosis, C-type lectin receptor signaling pathway and other pathways ; molecular docking results showed that curcumin had good affinity for potential core targets, among which STAT3 had the highest binding degree.Conclusion Curcumin can systematically improve UC through multiple targets and multiple pathways, which provides a theoretical basis for the subsequent development and clinical research of new drugs for the treatment of UC with curcumin.

参考文献/References:

[1]Feuerstein JD,Moss AC,Farraye FA.Ulcerative Colitis[J].Mayo Clin Proc,2019,94(7):1357-1373.[2]张声生,沈洪,郑凯,等.溃疡性结肠炎中医诊疗专家共识意见(2017)[J].中华中医药杂志,2017,32(8):3585-3589.[3]Naganuma M,Mizuno S,Nanki K,et al.Recent trends and future directions for the medical treatment of ulcerative colitis[J].Clin J Gastroenterol,2016,9(6):329-336.[4]中华医学会外科学分会结直肠外科学组,中国医师协会肛肠医师分会炎症性肠病专业委员会.中国溃疡性结肠炎外科治疗指南[J].中华炎性肠病杂志,2022,6(1):7-16.[5]宋楠楠.基于NLRP3-IL-1β通路抑制的姜黄素治疗肺纤维化的机制探讨[D].济南:山东中医药大学,2022.[6]Sadeghi N,Mansoori A,Shayesteh A,et al.The effect of curcumin supplementation on clinical outcomes and inflammatory markers in patients with ulcerative colitis[J].Phytother Res,2020,34(5):1123-1133.[7]Zhang J,Zhou Y,Ma Z.Multi-target mechanism of Tripteryguim wilfordii Hook for treatment of ankylosing spondylitis based on network pharmacology and molecular docking[J].Ann Med,2021,53(1):1090-1098.[8]谭思思,王真权,李克亚,等.从心脾论治溃疡性结肠炎[J].中医药临床杂志,2020,32(8):1438-1443.[9]许圳鹏,吴燕燕,蔡而玮.葛根芩连汤加减方治疗溃疡性结肠炎效果分析[J].中外医学研究,2022,20(20):30-33.[10]万文雅,张博.基于浊毒理论治疗对溃疡性结肠炎患者血清炎症因子水平的影响[J].贵州医药,2021,45(1):116-117.[11]岑康铭.基于肠黏膜屏障探讨中药雷公藤提取物“雷公藤多苷”干预TNBS诱导UC大鼠的作用机制[D].贵阳:贵州中医药大学,2021.[12]李彤,刘芬,张新悦,等.基于网络药理学解析葛根芩连汤治疗溃疡性结肠炎的配伍机制[J].中国中药杂志,2022,47(13):3619-3628.[13]肖戈,陆文洪.基于整合药理学平台预测黄芩-黄连对溃疡性结肠炎的作用靶点[J].实用中西医结合临床,2022,22(2):1-6.[14]王佳俊,杨显娟,王立映,等.黄连厚朴汤改善溃疡性结肠炎的网络药理学机制分析[J].中国实验方剂学杂志,2022,28(13):217-224.[15]Yin J,Wei L,Wang N,et al.Efficacy and safety of adjuvant curcumin therapy in ulcerative colitis:A systematic review and meta-analysis[J].J Ethnopharmacol,2022,289:115041.[16]Wang Y,Yu H,He J.Role of dyslipidemia in accelerating inflammation,autoimmunity,and atherosclerosis in systemic lupus erythematosus and other autoimmune diseases[J].Discov Med,2020,30(159):49-56.[17]Sappati Biyyani RS,Putka BS,Mullen KD.Dyslipidemia and lipoprotein profiles in patients with inflammatory bowel disease[J].J Clin Lipidol,2010,4(6):478-482.[18]Ganjali S,Blesso CN,Banach M,et al.Effects of curcumin on HDL functionality[J].Pharmacol Res,2017,119:208-218.[19]Stoff M,Ebbecke T,Ciurkiewicz M,et al.C-type lectin receptor DCIR contributes to hippocampal injury in acute neurotropic virus infection[J].Sci Rep,2021,11(1):23819.[20]Stephens M,Keane K,Roizes S,et al.Mincle-binding DNA aptamer demonstrates therapeutic potential in a model of inflammatory bowel disease[J].Mol Ther Nucleic Acids,2022,28:935-947.[21]Tan RZ,Liu J,Zhang YY,et al.Curcumin relieved cisplatin-induced kidney inflammation through inhibiting Mincle-maintained M1 macrophage phenotype[J].Phytomedicine,2019,52:284-294.[22]李子通,闫旭,张守敏,等.Src/RUNX2参与调控周期性高张应变诱导的血管平滑肌细胞迁移[J].医用生物力学,2022,37(3):395-402.[23]Chen W,Zhuo M,Lu X,et al.SRC-3 protects intestine from DSS-induced colitis by inhibiting inflammation and promoting goblet cell differentiation through enhancement of KLF4 expression[J].Int J Biol Sci,2018,14(14):2051-2064.[24]Setia S,Nehru B,Sanyal SN.Upregulation of MAPK/Erk and PI3K/Akt pathways in ulcerative colitis-associated colon cancer[J].Biomed Pharmacother,2014,68(8):1023-1029.[25]Gao W,Wang C,Yu L,et al.Chlorogenic Acid Attenuates Dextran Sodium Sulfate-Induced Ulcerative Colitis in Mice through MAPK/ERK/JNK Pathway[J].Biomed Res Int,2019,2019:6769789.[26]Hirano T,Hirayama D,Wagatsuma K,et al.Immunological Mechanisms in Inflammation-Associated Colon Carcinogenesis[J].Int J Mol Sci,2020,21(9):3062.[27]Johnson DE,O’Keefe RA,Grandis JR.Targeting the IL-6/JAK/STAT3 signalling axis in cancer[J].Nat Rev Clin Oncol,2018,15(4):234-248.[28]Li BL,Zhao DY,Du PL,et al.Luteolin alleviates ulcerative colitis through SHP-1/STAT3 pathway[J].Inflamm Res,2021,70(6):705-717.[29]Shou X,Wang Y,Zhang X,et al.Network Pharmacology and Molecular Docking Analysis on Molecular Mechanism of Qingzi Zhitong Decoction in the Treatment of Ulcerative Colitis[J].Front Pharmacol,2022,13:727608.[30]Li P,Wang J,Zou Y,et al.Interaction of Hsp90AA1 with phospholipids stabilizes membranes under stress conditions[J].Biochim Biophys Acta Biomembr,2019,1861(2):457-465.[31]Wei M,LI H,LI Q,et al.Based on Network Pharmacology to Explore the Molecular Targets and Mechanisms of Gegen Qinlian Decoction for the Treatment of Ulcerative Colitis[J].Biomed Res Int,2020,2020:5217405.[32]Narumi Y,Isomoto H,Shiota M,et al.Polymorphisms of PTPN11 coding SHP-2 as biomarkers for ulcerative colitis susceptibility in the Japanese population[J].J Clin Immunol,2009,29(3):303-310.

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(19):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(19):59.[doi:10.3969/j.issn.1006-1959.2018.09.019]
[3]李志俊,王 利,王 浩.姜黄素改善糖尿病肾病的作用机制研究[J].医学信息,2018,31(24):35.[doi:10.3969/j.issn.1006-1959.2018.24.010]
　LI Zhi-jun,WANG Li,WANG Hao.Study on the Mechanism of Curcumin in Improving Diabetic Nephropathy[J].Journal of Medical Information,2018,31(19):35.[doi:10.3969/j.issn.1006-1959.2018.24.010]
[4]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(19):3.[doi:10.3969/j.issn.1006-1959.2019.15.002]
[5]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(19):161.[doi:10.3969/j.issn.1006-1959.2019.21.054]
[6]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(19):151.[doi:10.3969/j.issn.1006-1959.2020.04.049]
[7]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(19):44.[doi:10.3969/j.issn.1006-1959.2020.07.014]
[8]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(19):42.[doi:10.3969/j.issn.1006-1959.2020.22.013]
[9]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(19):167.[doi:10.3969/j.issn.1006-1959.2021.03.048]
[10]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(19):168.[doi:10.3969/j.issn.1006-1959.2021.08.046]

更新日期/Last Update: 1900-01-01