• 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

In Silico Identification of Natural SIRT1 Inhibitors through Molecular Docking, Dynamics Simulation, and MM/PBSA.

作者信息

Kardam Shefali, Kumar Pravir

机构信息

Molecular Neuroscience and Functional Genomics Laboratory, Department of Biotechnology, Delhi Technological University (Formerly DCE), Delhi, India.

出版信息

Cell Biochem Biophys. 2025 Sep 8. doi: 10.1007/s12013-025-01886-0.

DOI:10.1007/s12013-025-01886-0
PMID:40924381
Abstract
摘要

相似文献

1
In Silico Identification of Natural SIRT1 Inhibitors through Molecular Docking, Dynamics Simulation, and MM/PBSA.通过分子对接、动力学模拟和MM/PBSA对天然SIRT1抑制剂进行计算机模拟鉴定
Cell Biochem Biophys. 2025 Sep 8. doi: 10.1007/s12013-025-01886-0.
2
Marine natural compounds as potential CBP bromodomain inhibitors for treating cancer: an in-silico approach using molecular docking, ADMET, molecular dynamics simulations and MM-PBSA binding free energy calculations.海洋天然化合物作为潜在的用于治疗癌症的CBP溴结构域抑制剂：一种使用分子对接、ADMET、分子动力学模拟和MM-PBSA结合自由能计算的计算机模拟方法
In Silico Pharmacol. 2024 Sep 18;12(2):85. doi: 10.1007/s40203-024-00258-5. eCollection 2024.
3
Unveiling key hub genes in E. coli biofilm formation: An in silico approach integrating differential gene expression, biosurfactant targeting, MD simulation and MM-PBSA free energy calculations.揭示大肠杆菌生物膜形成中的关键枢纽基因：一种整合差异基因表达、生物表面活性剂靶向、分子动力学模拟和MM-PBSA自由能计算的计算机模拟方法。
Comput Biol Chem. 2025 Dec;119:108596. doi: 10.1016/j.compbiolchem.2025.108596. Epub 2025 Jul 15.
4
Identification of natural inhibitors against CDK6 target using pharmacophore-based screening, molecular docking, molecular dynamic simulations, and quantitative electrostatic potential analysis maps: A comprehensive study.基于药效团筛选、分子对接、分子动力学模拟和定量静电势分析图鉴定针对CDK6靶点的天然抑制剂：一项综合研究。
Comput Biol Chem. 2025 Dec;119:108514. doi: 10.1016/j.compbiolchem.2025.108514. Epub 2025 Jun 4.
5
Identification of Potential Dual HDAC6 and HSP90 Inhibitors for the Treatment of Cancer using Molecular Docking, Molecular Dynamics and MM/PBSA Studies: A Comprehensive Study.使用分子对接、分子动力学和MM/PBSA研究鉴定用于癌症治疗的潜在双HDAC6和HSP90抑制剂：一项综合研究
Med Chem. 2025 Jul 7. doi: 10.2174/0115734064388900250625121927.
6
Virtual screening, molecular docking, and molecular dynamics simulation reveal new insights into RNA polymerase inhibition for anti-tuberculosis drug discovery.虚拟筛选、分子对接和分子动力学模拟为抗结核药物研发中RNA聚合酶抑制作用的研究提供了新见解。
Artif Cells Nanomed Biotechnol. 2025 Dec;53(1):304-325. doi: 10.1080/21691401.2025.2531748. Epub 2025 Jul 18.
7
Targeting tau hyperphosphorylation-mediated neuroinflammation in Alzheimer's disease via ABL1 kinase inhibition: Insights from microsecond MD simulation and MM/PBSA analyses.通过抑制ABL1激酶靶向阿尔茨海默病中tau蛋白过度磷酸化介导的神经炎症：微秒级分子动力学模拟和MM/PBSA分析的见解
Int J Biol Macromol. 2025 Aug;320(Pt 2):145785. doi: 10.1016/j.ijbiomac.2025.145785. Epub 2025 Jul 5.
8
Study of Glabranin as an Inhibitor Against Prostate Cancer: Molecular Docking, Molecular Dynamics Simulation, MM-PBSA Calculation and QSAR Prediction.大豆苷元作为前列腺癌抑制剂的研究：分子对接、分子动力学模拟、MM-PBSA计算和QSAR预测
Indian J Clin Biochem. 2024 Jul;39(3):331-343. doi: 10.1007/s12291-023-01134-3. Epub 2023 Apr 1.
9
Discovery of Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors through Rational Design of Novel Fluorinated 1,3,4-oxadiazole Amide Derivatives: An In-Silico Study.通过新型氟化1,3,4-恶二唑酰胺衍生物的合理设计发现严重急性呼吸综合征冠状病毒2主要蛋白酶抑制剂：一项计算机模拟研究
Chem Biodivers. 2025 Jun;22(6):e202403179. doi: 10.1002/cbdv.202403179. Epub 2025 Feb 14.
10
Exploring natural products for allosteric inhibition of glutathione peroxidase 4 in drug-resistant cancers via molecular docking and dynamics.通过分子对接和动力学探索天然产物对耐药性癌症中谷胱甘肽过氧化物酶4的变构抑制作用。
Anticancer Drugs. 2025 Jun 24. doi: 10.1097/CAD.0000000000001749.

本文引用的文献

1
Oxidative stress and inflammation in the pathogenesis of neurological disorders: Mechanisms and implications.氧化应激与炎症在神经疾病发病机制中的作用：机制与影响
Acta Pharm Sin B. 2025 Jan;15(1):15-34. doi: 10.1016/j.apsb.2024.10.004. Epub 2024 Oct 16.
2
MDbDMRP: A novel molecular descriptor-based computational model to identify drug-miRNA relationships.MDbDMRP：一种基于新型分子描述符的计算模型，用于识别药物-微小RNA关系。
Int J Biol Macromol. 2025 Jan;287:138580. doi: 10.1016/j.ijbiomac.2024.138580. Epub 2024 Dec 8.
3
Targeting sirtuins for cancer therapy: epigenetics modifications and beyond.
靶向沉默调节蛋白治疗癌症：表观遗传学修饰及其他。
Theranostics. 2024 Oct 14;14(17):6726-6767. doi: 10.7150/thno.100667. eCollection 2024.
4
Neurodegenerative disorders: Mechanisms of degeneration and therapeutic approaches with their clinical relevance.神经退行性疾病：退化机制及具有临床相关性的治疗方法。
Ageing Res Rev. 2024 Aug;99:102357. doi: 10.1016/j.arr.2024.102357. Epub 2024 Jun 1.
5
Quercetin's Restorative Properties in Male Mice with 3-Nitropropionic Acid-induced Huntington-like Symptoms: Molecular Docking, Behavioral, and Biochemical Assessment.槲皮素对 3-硝基丙酸诱导的具有亨廷顿样症状雄性小鼠的修复作用：分子对接、行为和生化评估。
Cell Biochem Biophys. 2024 Jun;82(2):1489-1502. doi: 10.1007/s12013-024-01302-z. Epub 2024 May 17.
6
Huntington's Disease: Complex Pathogenesis and Therapeutic Strategies.亨廷顿病：复杂的发病机制与治疗策略。
Int J Mol Sci. 2024 Mar 29;25(7):3845. doi: 10.3390/ijms25073845.
7
Emerging roles of SIRT1 activator, SRT2104, in disease treatment.SIRT1 激活剂 SRT2104 在疾病治疗中的新兴作用。
Sci Rep. 2024 Mar 6;14(1):5521. doi: 10.1038/s41598-024-55923-8.
8
Targeting Sirtuin 1 for therapeutic potential: Drug repurposing approach integrating docking and molecular dynamics simulations.靶向 Sirtuin 1 以挖掘治疗潜力：药物重定位方法的整合对接和分子动力学模拟。
PLoS One. 2023 Dec 20;18(12):e0293185. doi: 10.1371/journal.pone.0293185. eCollection 2023.
9
From Pathogenesis to Therapeutics: A Review of 150 Years of Huntington's Disease Research.从发病机制到治疗：亨廷顿病研究 150 年回顾。
Int J Mol Sci. 2023 Aug 21;24(16):13021. doi: 10.3390/ijms241613021.
10
Molecular docking as a tool for the discovery of molecular targets of nutraceuticals in diseases management.分子对接作为一种工具，用于发现疾病管理中营养保健品的分子靶标。
Sci Rep. 2023 Aug 17;13(1):13398. doi: 10.1038/s41598-023-40160-2.