• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

水苏碱和樱花素与白细胞介素-6和肿瘤坏死因子-α在炎症背景下的分子对接分析

Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation.

作者信息

Prathap Lavanya, Jayaraman Selvaraj, Roy Anitha, Santhakumar Preetha, Jeevitha M

机构信息

Department of Anatomy, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Chennai - 600 077, Tamil Nadu, India.

Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Chennai - 600 077, Tamil Nadu, India.

出版信息

Bioinformation. 2021 Feb 28;17(2):363-368. doi: 10.6026/97320630017363. eCollection 2021.

DOI:10.6026/97320630017363
PMID:34234397
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8225604/
Abstract

Inflammation is a process triggered by pro-inflammatory cytokines and anti-inflammatory molecules. Therefore, it is of interest to document the anti-inflammatory activity of Stachydrine and Sakuranetin against the inflammatory target proteins IL-6 and TNF-α by using molecular docking analysis. Both compounds showed good binding features with the selected target proteins. Compared to Sakuranetin, the Stachydrine have low binding energy and good hydrogen bond interactions. Hence, data show that Stachydrine possessed high and specific inhibitory activity on tumor necrosis factor-α and interleukin-6.

摘要

炎症是一个由促炎细胞因子和抗炎分子触发的过程。因此,通过分子对接分析来记录水苏碱和樱花素对炎症靶蛋白白细胞介素-6(IL-6)和肿瘤坏死因子-α(TNF-α)的抗炎活性是很有意义的。这两种化合物与选定的靶蛋白都显示出良好的结合特性。与樱花素相比,水苏碱具有较低的结合能和良好的氢键相互作用。因此,数据表明水苏碱对肿瘤坏死因子-α和白细胞介素-6具有高度且特异性的抑制活性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/741d/8225604/e5e3c6e69da1/97320630017363F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/741d/8225604/e5e3c6e69da1/97320630017363F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/741d/8225604/e5e3c6e69da1/97320630017363F1.jpg

相似文献

1
Molecular docking analysis of stachydrine and sakuranetin with IL-6 and TNF-α in the context of inflammation.水苏碱和樱花素与白细胞介素-6和肿瘤坏死因子-α在炎症背景下的分子对接分析
Bioinformation. 2021 Feb 28;17(2):363-368. doi: 10.6026/97320630017363. eCollection 2021.
2
Sakuranetin ameliorates streptozotocin-induced diabetes in rodents by inhibiting caspase-3 activity, modulating hematological parameters, and suppressing inflammatory cytokines: a molecular docking and dynamics study.樱黄素通过抑制半胱天冬酶 -3活性、调节血液学参数和抑制炎性细胞因子改善链脲佐菌素诱导的啮齿动物糖尿病:一项分子对接和动力学研究。
J Biomol Struct Dyn. 2024 Mar 9:1-18. doi: 10.1080/07391102.2024.2325659.
3
Structure-based design and synthesis of new 4-methylcoumarin-based lignans as pro-inflammatory cytokines (TNF-α, IL-6 and IL-1β) inhibitors.基于结构的新型 4-甲基香豆素木脂素设计与合成及其作为促炎细胞因子(TNF-α、IL-6 和 IL-1β)抑制剂的研究。
Bioorg Chem. 2019 Aug;89:102991. doi: 10.1016/j.bioorg.2019.102991. Epub 2019 May 20.
4
Synthesis and biological evaluation of tetrazole derivatives as TNF-α, IL-6 and COX-2 inhibitors with antimicrobial activity: Computational analysis, molecular modeling study and region-specific cyclization using 2D NMR tools.四唑衍生物的合成及作为 TNF-α、IL-6 和 COX-2 抑制剂的生物评价及抗菌活性:计算分析、分子建模研究和使用 2D NMR 工具的区域特异性环化。
Bioorg Chem. 2019 Nov;92:103301. doi: 10.1016/j.bioorg.2019.103301. Epub 2019 Sep 18.
5
Protective Effect of Stachydrine Against Cerebral Ischemia-Reperfusion Injury by Reducing Inflammation and Apoptosis Through P65 and JAK2/STAT3 Signaling Pathway.水苏碱通过P65和JAK2/STAT3信号通路减轻炎症和凋亡对脑缺血再灌注损伤的保护作用
Front Pharmacol. 2020 Feb 18;11:64. doi: 10.3389/fphar.2020.00064. eCollection 2020.
6
Benificial Effect of Stachydrine on the Traumatic Brain Injury Induced Neurodegeneration by Attenuating the Expressions of Akt/mTOR/PI3K and TLR4/NFκ-B Pathway.水苏碱通过减弱Akt/mTOR/PI3K和TLR4/NFκ-B信号通路的表达对创伤性脑损伤诱导的神经退行性变的有益作用。
Transl Neurosci. 2018 Dec 31;9:175-182. doi: 10.1515/tnsci-2018-0026. eCollection 2018.
7
Stachydrine attenuates IL-1β-induced inflammatory response in osteoarthritis chondrocytes through the NF-κB signaling pathway.水黄皮碱通过 NF-κB 信号通路减轻骨关节炎软骨细胞中的 IL-1β诱导的炎症反应。
Chem Biol Interact. 2020 Aug 1;326:109136. doi: 10.1016/j.cbi.2020.109136. Epub 2020 May 15.
8
Evaluation of in vitro and in vivo anti-inflammatory effects of (-)-pseudosemiglabrin, a major phytoconstituent isolated from Tephrosia apollinea (Delile) DC.对从灰毛豆(Tephrosia apollinea (Delile) DC.)中分离出的主要植物成分(-)-假半光荚豆碱的体外和体内抗炎作用的评估
J Ethnopharmacol. 2016 Dec 4;193:312-320. doi: 10.1016/j.jep.2016.08.023. Epub 2016 Aug 20.
9
Amyloid-beta peptide induced inflammatory reaction is mediated by the cytokines tumor necrosis factor and interleukin-1.β淀粉样肽诱导的炎症反应由细胞因子肿瘤坏死因子和白细胞介素-1介导。
J Submicrosc Cytol Pathol. 1999 Jul;31(3):313-23.
10
Sakuranetin downregulates inducible nitric oxide synthase expression by affecting interleukin-1 receptor and CCAAT/enhancer-binding protein β.樱花素通过影响白细胞介素-1 受体和 CCAAT/增强子结合蛋白-β来下调诱导型一氧化氮合酶的表达。
J Nat Med. 2019 Mar;73(2):353-368. doi: 10.1007/s11418-018-1267-x. Epub 2018 Nov 22.

引用本文的文献

1
Pharmacological Insights and Therapeutic Applications of Leonurus in Neurological Disorders.益母草在神经系统疾病中的药理学见解与治疗应用
J Inflamm Res. 2025 Aug 21;18:11437-11450. doi: 10.2147/JIR.S527517. eCollection 2025.
2
Exploring the potential therapeutic benefits of 7-methoxy coumarin for neuropathy pain: an in vivo, in vitro, and in silico approach.探讨 7-甲氧基香豆素治疗神经病变疼痛的潜在治疗益处:体内、体外和计算方法。
Mol Biol Rep. 2024 Oct 18;51(1):1066. doi: 10.1007/s11033-024-09991-8.
3
Computational Analysis of a Marine-Derived Drug From Rhizophora mucronata Against the Capsid Protein of Rubella Virus.

本文引用的文献

1
A guiding map for inflammation.炎症的指导图谱。
Nat Immunol. 2017 Jul 19;18(8):826-831. doi: 10.1038/ni.3790.
2
The evolution of drug discovery in systemic lupus erythematosus.系统性红斑狼疮药物研发的演进。
Nat Rev Rheumatol. 2015 Oct;11(10):616-20. doi: 10.1038/nrrheum.2015.86. Epub 2015 Jun 30.
3
TREG-cell therapies for autoimmune rheumatic diseases.调节性 T 细胞治疗自身免疫性风湿病。
对红树植物白骨壤中一种海洋来源药物抗风疹病毒衣壳蛋白的计算分析。
Cureus. 2024 Aug 20;16(8):e67352. doi: 10.7759/cureus.67352. eCollection 2024 Aug.
4
Exploring the hepatoprotective properties of citronellol: and studies on ethanol-induced damage in HepG2 cells.探索香茅醇的肝脏保护特性:以及对乙醇诱导的HepG2细胞损伤的研究。
Open Life Sci. 2024 Sep 9;19(1):20220950. doi: 10.1515/biol-2022-0950. eCollection 2024.
5
Stachydrine, a pyrrole alkaloid with promising therapeutic potential against metabolic syndrome and associated organ dysfunction.水苏碱,一种对代谢综合征及相关器官功能障碍具有潜在治疗价值的吡咯生物碱。
RSC Med Chem. 2024 Aug 27;15(11):3652-73. doi: 10.1039/d4md00425f.
6
Specific blood metabolite associations with Gout: a Mendelian randomization study.特定血液代谢物与痛风的关联:一项孟德尔随机化研究。
Eur J Clin Nutr. 2025 Jan;79(1):24-32. doi: 10.1038/s41430-024-01497-7. Epub 2024 Aug 30.
7
Molecular Docking of Seaweed-Derived Drug Fucoxanthin Against the Monkeypox Virus.海藻衍生药物岩藻黄质对猴痘病毒的分子对接
Cureus. 2024 Apr 22;16(4):e58730. doi: 10.7759/cureus.58730. eCollection 2024 Apr.
8
The Oncolytic Effect of Aerva lanata on Osteosarcoma Cell Lines via the Apoptotic Signaling Pathway.白花鸡屎藤通过凋亡信号通路对骨肉瘤细胞系的溶瘤作用。
Cureus. 2024 Apr 12;16(4):e58091. doi: 10.7759/cureus.58091. eCollection 2024 Apr.
9
Computational Exploration of Single-Nucleotide Polymorphisms in the Human hRAS Gene: Implications and Insights.人类hRAS基因单核苷酸多态性的计算探索:意义与见解
Cureus. 2024 Jan 28;16(1):e53119. doi: 10.7759/cureus.53119. eCollection 2024 Jan.
10
An Evaluation of the Novel Biological Properties of Diterpenes Isolated from Codd. In Vitro and In Silico.从 Codd 中分离出的二萜的新型生物学特性的评价:体外和计算机模拟。
Cells. 2022 Oct 15;11(20):3243. doi: 10.3390/cells11203243.
Nat Rev Rheumatol. 2014 Sep;10(9):543-51. doi: 10.1038/nrrheum.2014.105. Epub 2014 Jul 1.
4
Emerging cell and cytokine targets in rheumatoid arthritis.类风湿关节炎中的新兴细胞和细胞因子靶点。
Nat Rev Rheumatol. 2014 Feb;10(2):77-88. doi: 10.1038/nrrheum.2013.168. Epub 2013 Nov 12.
5
Computer-aided drug design platform using PyMOL.使用 PyMOL 的计算机辅助药物设计平台。
J Comput Aided Mol Des. 2011 Jan;25(1):13-9. doi: 10.1007/s10822-010-9395-8. Epub 2010 Oct 30.
6
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading.AutoDock Vina:通过新的评分函数、高效优化和多线程改进对接的速度和准确性。
J Comput Chem. 2010 Jan 30;31(2):455-61. doi: 10.1002/jcc.21334.
7
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility.AutoDock4 和 AutoDockTools4:具有选择性受体柔性的自动化对接。
J Comput Chem. 2009 Dec;30(16):2785-91. doi: 10.1002/jcc.21256.
8
Controlling neuropathic pain by adeno-associated virus driven production of the anti-inflammatory cytokine, interleukin-10.通过腺相关病毒驱动抗炎细胞因子白细胞介素-10的产生来控制神经性疼痛。
Mol Pain. 2005 Feb 25;1:9. doi: 10.1186/1744-8069-1-9.
9
Recent advances in alcoholic liver disease. IV. Dysregulated cytokine metabolism in alcoholic liver disease.酒精性肝病的最新进展。IV. 酒精性肝病中细胞因子代谢失调
Am J Physiol Gastrointest Liver Physiol. 2004 Sep;287(3):G497-502. doi: 10.1152/ajpgi.00171.2004.
10
Cytokines in alcoholic and nonalcoholic steatohepatitis.酒精性和非酒精性脂肪性肝炎中的细胞因子
N Engl J Med. 2000 Nov 16;343(20):1467-76. doi: 10.1056/NEJM200011163432007.