[1]陆东芳邝晓岚尹莺桦徐方方刘博吴爱华.网络药理学结合分子对接技术分析雷公藤甲素治疗内异症的机制[J].现代中医药,2024,(02):110-117.[doi:10.13424/j.cnki.mtcm.2024.02.019]
　LU DongfangKUANG XiaolanYIN Yinghua?XU FangfangLIU BoWU Aihua.Network Pharmacology Combined with Molecular Docking Technology to Analyze the Mechanism of Triptolide A in the Treatment of Endometriosis[J].Modern Traditional Chinese Medicine,2024,(02):110-117.[doi:10.13424/j.cnki.mtcm.2024.02.019]
点击复制

网络药理学结合分子对接技术分析雷公藤甲素治疗内异症的机制()
分享到：

《现代中医药》[ISSN:1006-6977/CN:61-1281/TN]

卷:
期数:
2024年02期
页码:
110-117
栏目:
出版日期:
2024-03-20

文章信息/Info

Title:
Network Pharmacology Combined with Molecular Docking Technology to Analyze the Mechanism of Triptolide A in the Treatment of Endometriosis
文章编号:
1672-0571(2024)02-0110-08
作者:
陆东芳1邝晓岚1尹莺桦1徐方方1; 2刘博1; 2吴爱华1; 3
1.广州中医药大学，广东 广州 510020；
2.广州市中药活性成分手性研究重点实验室，广东 广州 510006；
3.广东省中医院生殖医学中心，广东 广州 510120
Author(s):
LU Dongfang1KUANG Xiaolan1YIN Yinghua1?XU Fangfang1; 2LIU Bo1; 2WU Aihua1; 3
1.Guangzhou University of Chinese Medicine，Guangdong 510020,China；
2.Guangzhou KeyLaboratory of Chirality Research on Active Ingredients of Traditional Chinese Medicine，Guangzhou 510006，China；
3.Reproductive Medicine Center of Guangdong Provinci
关键词:
关键词：网络药理学; 雷公藤多苷; 雷公藤甲素; 子宫内膜异位症
Keywords:
Key words:Network pharmacology; Tripterygium wilfordii glycosides; Tripterygium wilfordii extract; Endometriosis
分类号:
R285.5
DOI:
10.13424/j.cnki.mtcm.2024.02.019
文献标志码:
A
摘要:
摘要：目的 选取雷公藤多苷的主要活性物质雷公藤甲素，基于网络药理学结合生物信息分析及分子对接分析雷公藤甲素治疗子宫内膜异位症（endometriosis，EMS）的潜在靶点和通路。方法 通过ChEMBL平台进行雷公藤甲素靶点收集，通过OMIM、TTD、PharmGKB数据库找出EMS的靶点；取药物靶点和疾病靶点两者的交集构建PPI网络，利用Cytoscape软件及R包筛选出核心靶点；使用string在线平台对核心靶点进行GO分析和KEGG分析。使用分子对接和生物信息分析对关键靶点进行进一步验证。结果 雷公藤甲素与EMS的共同靶点有73个，筛选出核心靶点13个，GO和KEGG富集分析发现生殖器官的发育、凋亡信号通路的调控、类固醇激素及其受体的生物功能及内分泌抵抗通路最为相关。结论 预测了雷公藤甲素治疗EMS的核心靶点、生物学过程以及关键信号通路，将有助于更好地理解雷公藤多苷在EMS治疗中的机理，为其基础研究提供一些参考。
Abstract:
Abstract：Objective To select the main active substance of Tripterygium wilfordii glycosides，Tripterygium wilfordii Hook.f.，and analyze the potential targets and pathways of Tripterygium wilfordii Hook.f.in the treatment of endometriosis (EMS) based on network pharmacology combined with bioinformatics analysis and molecular docking.Methods Collect targets of Triptolide A through the ChEMBL platform，and identify targets of EMS through OMIM，TTD，and PharmaGKB databases；Construct a PPI network by taking the intersection of drug targets and disease targets，and use Cytoscape software and R package to screen out core targets；Perform GO analysis and KEGG analysis on core targets using the string online platform.Further validation of key targets using molecular docking and bioinformatics analysis.Results As a result，there were 73 common targets of Triptolide A and EMS，and 13 core targets were screened.GO and KEGG enrichment analysis revealed that the development of reproductive organs，regulation of apoptosis signaling pathways，biological functions of steroid hormones and their receptors，and endocrine resistance pathways were most closely related.Conclusion The conclusion predicts the core targets，biological processes，and key signaling pathways of Tripterygium wilfordii glycosides in the treatment of EMS，which will help to better understand the mechanism of Tripterygium wilfordii glycosides in EMS treatment and provide some reference for its basic research.

参考文献/References:

［1］Calcagno P,Viti M,Cornelli A,et al.Intestinal obstruction caused by endometriosis:Endoscopic stenting and expedited laparoscopic resection avoiding stoma.A case report and review of the literature［J］.International Journal of Surgery Case Reports,2018,44:75-77.
［2］Bulun SE,Yilmaz BD,Sison C,et al.Endometriosis［J］.Endocrine Reviews,2019,40(4):1048-1079.
［3］Zhang ZZ,Suo LX,Chen YB,et al.Endometriotic peritoneal fluid promotes myofibroblast differentiation of endometrial mesenchymal stem cells［J］.Stem Cells International,2019,2019:6183796.
［4］黎海莉.雷公藤甲素对异位子宫内膜间质细胞纤维化的影响及其机制研究［Z］.石家庄：河北医科大学第四医院,2015-12-25.
［5］王立新,张彤,王毅.雷公藤制剂用于疾病治疗的研究进展［J］.中国城乡企业卫生,2021,36(9):67-69.
［6］刘俐伶,韦少宣,谭卫红,等.雷公藤多苷上调KISS-1表达对子宫内膜异位症在位内膜间质细胞增殖和凋亡的影响［J］.中华中医药学刊,2021,39(11):192-196.
［7］舒志芳,杨明珠.雷公藤多苷片联合曲普瑞林治疗子宫内膜异位症术后疗效观察［J］.中国继续医学教育,2018,10(14):155-158.
［8］Dun EC,Taylor RN,Wieser F.Advances in the genetics of endometriosis［J］.Genome Medicine,2010,2(10):75.
［9］Shigesi N,Kvaskoff M,Kirtley S,et al.The association between endometriosis and autoimmune diseases:a systematic review and meta-analysis［J］.Human Reproduction Update,2019,25(4):486-503.
［10］Grechukhina O,Petracco R,Popkhadze S,et al.A polymorphism in a let-7 microRNA binding site of KRAS in women with endometriosis［J］.EMBO Molecular Medicine,2012,4(3):206-217.
［11］中国中西医结合学会妇产科专业委员会.子宫内膜异位症中西医结合诊治指南［J］.中国中西医结合杂志,2019,39(10):1169-1176.
［12］Chantalat E,Valera MC,Vaysse C,et al.Estrogen receptors and endometriosis［J］.International Journal of Molecular Sciences,2020,21(8):2815.
［13］Chantalat E,Valera MC,Vaysse C,et al.Estrogen receptors and endometriosis［J］.International Journal of Molecular Sciences,2020,21(8):2815.
［14］曾又佳,孙惠力,徐缘钊,等.颗粒细胞凋亡在雷公藤甲素诱导卵巢损伤中的作用［J］.广东医学,2014,35(7):969-973.
［15］程坦,高宁,郑晓玲,等.基于转录组学研究雷公藤甲素对仓鼠卵巢细胞毒性的分子机制［J］.天然产物研究与开发,2021,33(11):1836-1844,1968.
［16］Bulun SE,Monsavais D,Pavone ME,et al.Role of estrogen receptor-β in endometriosis［J］.Seminars in Reproductive Medicine,2012,30(1):39-45.
［17］Vercellini P,Viganò P,Somigliana E,et al.Endometriosis:pathogenesis and treatment［J］.Nature Reviews Endocrinology,2014,10(5):261-275.
［18］Ni B,Zhu T,Jiang ZZ,et al.In vitro and in silico approaches for analyzing the toxicological effect of triptolide on cx43 in Sertoli cells［J］.Toxicology Mechanisms and Methods,2008,18(9):717-724.
［19］马俊辉.雷公藤甲素对MCF-7细胞凋亡及ERα/β的作用研究［D］.杭州:浙江中医药大学,2015.
［20］Han SJ,Lee JE,Cho YJ,et al.Genomic function of estrogen receptor β in endometriosis［J］.Endocrinology,2019,160(11):2495-2516.
［21］Hers I,Vincent EE,Tavaré JM.Akt signalling in health and disease［J］.Cellular Signalling,2011,23(10):1515-1527.
［22］Gao LS,Zhang ZY,Xu WL,et al.Natrium benzoate alleviates neuronal apoptosis via the DJ-1-related anti-oxidative stress pathway involving Akt phosphorylation in a rat model of traumatic spinal cord injury［J］.Frontiers in Molecular Neuroscience,2019,12:42.
［23］Kaushal JB,Shukla V,Sankhwar P,et al.Targeted inhibition of TAK1 abrogates TGFβ1 non-canonical signaling axis,NFκB/Smad7 inhibiting human endometriotic cells proliferation and inducing cell death involving autophagy［J］.Cytokine,2021,148:155700.
［24］关崇丽,郑婧,王惠玲.雷公藤甲素对子宫内膜癌Ishikawa细胞的影响［J］.中成药,2019,41(7):1706-1710.
［25］Li LX,He D,Guo QQ,et al.Exosome-liposome hybrid nanoparticle codelivery of TP and miR497 conspicuously overcomes chemoresistant ovarian cancer［J］.Journal of Nanobiotechnology,2022,20(1):50.
［26］Mei LW,Sang WH,Cui K,et al.Norcantharidin inhibits proliferation and promotes apoptosis via c-Met/Akt/mTOR pathway in human osteosarcoma cells［J］.Cancer Science,2019,110(2):582-595.
［27］Tisch N,Freire-Valls A,Yerbes R,et al.Caspase-8 modulates physiological and pathological angiogenesis during retina development［J］.The Journal of Clinical Investigation,2019,129(12):5092-5107.
［28］Huo JT,Yu QW,Zhang Y,et al.Triptolide-induced hepatotoxicity via apoptosis and autophagy in zebrafish［J］.Journal of Applied Toxicology:JAT,2019,39(11):1532-1540.
［29］Shah A,Plaza-Sirvent C,Weinert S,et al.YB-1 mediates TNF-induced pro-survival signaling by regulating NF-κB activation［J］.Cancers,2020,12(8):2188.
［30］王晓菲.雷公藤甲素通过线粒体途径促进子宫内膜癌细胞凋亡的实验研究［D］.南京:南京医科大学,2013.

相似文献/References:

[1]杨杰 彭启伦 郭步伐 丁维俊.半夏-附子药对拮抗冠心病分子机制研究[J].现代中医药,2022,1(02):054.[doi:10.13424/j.cnki.mtcm.2022.02.010]
[2]邓开钰 黄学宽 谭为华** 黄琴 黄玉梅.基于网络药理学及分子对接技术探讨保苓汤治疗2型糖尿病合并肺部感染作用机制[J].现代中医药,2024,(06):102.[doi:10.13424/j.cnki.mtcm.2024.06.018]

备注/Memo

备注/Memo:
基金项目：广东省重点领域研发计划 (2020B1111110007)；广州市中药活性成分手性研究重点实验室 (202002010004)；省部共建中医湿证国家重点实验室专项（SZ2021ZZ33）；广东省自然科学基金面上项目（2022A1515012443）
更新日期/Last Update: 2024-03-26