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刘文龙,赵靖,张喜利,常铮,刘志军,葛金文.基于网络药理学探讨新伤湿敷液治疗软组织损伤的作用机制[J].湖南中医药大学学报英文版,2021,41(4):576-585.[Click to copy
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| 基于网络药理学探讨新伤湿敷液治疗软组织损伤的作用机制 |
| 刘文龙,赵靖,张喜利,常铮,刘志军,葛金文 |
| (湖南中医药大学附属常德医院, 湖南 常德 415000;湖南中医药大学, 湖南 长沙 410208;中药成药性与制剂制备湖南省重点实验室, 湖南 长沙 410208) |
| 摘要: |
| 目的 采用网络药理学及分子对接技术探讨新伤湿敷液治疗软组织损伤的成分、靶点、通路三者之间的相互作用机制。方法 通过文献查找及TCMSP数据库获取新伤湿敷液活性成分，利用TCMSP及SWISS数据库获取对应靶标并与Gene Cards、OMIM数据库所获疾病靶标交集以得到核心靶点，基于STRING平台构建靶点相互作用网络并通过Cytoscape软件可视化复方-药物-成分-靶点-通路网络，Metascape数据库对核心靶点进行GO及KEGG可视化分析，最后将所得结果导入Sybyl软件进行分子对接。结果 分析得到新伤湿敷液中活性成分作用于56个核心靶点；且分子对接结果显示新伤湿敷液中emodin、baicalin、baicalein等成分与PIK3CA等靶点亲和力强。结论 新伤湿敷液中的活性成分可能通过作用于PIK3CA等靶点以调节Th17细胞分化、TNF、IL-17等通路以治疗软组织损伤。 |
| 关键词: 软组织损伤 网络药理学 新伤湿敷液 分子对接 作用机制 |
| DOI：10.3969/j.issn.1674-070X.2021.04.014 |
| Received:November 16, 2020 |
| 基金项目:中国博士后科学基金项目（2018M640755）；国家自然科学基金项目（81874344）；长沙市科技计划项目（kq1907136）；湖南省中医药管理局项目（2019104）；湖南省教育厅项目（19C1435）。 |
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| Possible Mechanisms of Xinshang Shifu Liquid in Treating Soft Tissue Injury Based on Network Pharmacology |
| LIU Wenlong,ZHAO Jing,ZHANG Xili,CHANG Zheng,LIU Zhijun,GE Jinwen |
| (Changde Hospital Affiliated to Hunan University of Chinese Medicine, Changde, Hunan 415000, China;Hunan University of Chinese Medicine, Changsha, Hunan 410208, China;Hunan Key Laboratory of Druggability and Preparation Modification for Traditional Chinese Medicine, Changsha, Hunan 410208, China) |
| Abstract: |
| Objective Network pharmacology and molecular docking technology were utilized to explore interaction mechanisms among the components, targets and pathways of Xinshang Shifu Liquid in treatment of soft tissue injury. Methods The active ingredients of Xinshang Shifu Liquid were obtained from literature searches and TCMSP database, and corresponding targets were get from TCMSP and SWISS databases. Disease targets were retrieved via GeneCards and OMIM databases. Core targets were identified by intersecting disease targets with active ingredient action targets. Building a target interaction network based on STRING platform and through Cytoscape software to visualize the prescription-drug-component-target-pathway network. Metascape database performs GO and KEGG visualization analysis on the core targets, and finally the results were imported into Sybyl software for molecular docking. Results It was analyzed that active ingredients in Xinshang Shifu liquides act on 56 core targets, and the molecular docking results showed that emodin, baicalin, baicalein and other compounds in the Xinshang Shifu Liquid have a strong affinity with PIK3CA and other targets. Conclusion The effective compounds in Xinshang Shifu Liquid may interact with PIK3CA and other targets, and regulate Th17 cell differentiation, TNF, IL-17 and other pathways to treat soft tissue injury. |
| Key words: soft tissue injury network pharmacology Xinshang Shifu Liquid molecular docking mechanism of action |
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