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基于网络药理学和分子对接技术探讨三十生新软膏治疗压疮的作用机制。

Mechanism exploration of SanShi ShengXin Ointment in the treatment of pressure ulcers based on network pharmacology and molecular docking.

机构信息

Postgraduate of First Clinical Medical College, Anhui University of Traditional Chinese Medicine, Hefei, China.

Chief Physician of Surgical Department, The Second Affiliated Hospital of Anhui University of Traditional Chinese Medicine, Hefei, China.

出版信息

Medicine (Baltimore). 2024 Mar 1;103(9):e37390. doi: 10.1097/MD.0000000000037390.

Abstract

BACKGROUND

To explore the active ingredients, prospective targets, and action mechanisms of SanShi ShengXin Ointment in the treatment of pressure ulcers (PU) based on the network pharmacology technique and molecular docking technology.

METHODS

The active ingredients and action targets of Sanshishengxin Ointment were searched through the Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform. The PU-related targets were retrieved from the GeneCards and DisGeNET databases. The intersection target genes of disease and drugs were obtained. The "disease-drug-active ingredient-target" was constructed using Cytoscape software. The intersection target genes were imported into the String database to construct a protein-protein interaction network for gene ontology and Kyoto Encyclopedia of Genes and Genomes analyses. The Auto Dock software was used for relevant molecular docking.

RESULTS

A total of 78 active ingredients of SanShi ShengXin Ointment were obtained, corresponding to 539 target genes. There were 5896 PU-related target genes, and 373 intersection target genes of disease and drugs were obtained, such as STAT3, TP53, JUN, MAPK3, CTNNB1, involving PI3K-Akt, TNF, MAPK, and other related signaling pathways.

CONCLUSION

Based on network pharmacology and molecular docking analyses, this study demonstrates that SanShi ShengXin Ointment can treat PU through multicomponent, multitarget, and multipathway. .

摘要

背景

基于网络药理学技术和分子对接技术,探讨三十生新软膏治疗压力性溃疡(PU)的活性成分、潜在靶点和作用机制。

方法

通过中药系统药理学数据库和分析平台搜索三十生新软膏的活性成分和作用靶点。从 GeneCards 和 DisGeNET 数据库中检索 PU 相关靶点。获得疾病与药物的交集靶点基因。使用 Cytoscape 软件构建“疾病-药物-活性成分-靶点”网络。将交集靶点基因导入 String 数据库,进行基因本体和京都基因与基因组百科全书分析。使用 Auto Dock 软件进行相关分子对接。

结果

共获得 78 种三十生新软膏的活性成分,对应 539 个靶点。有 5896 个与 PU 相关的靶点,获得 373 个疾病与药物的交集靶点基因,如 STAT3、TP53、JUN、MAPK3、CTNNB1 等,涉及 PI3K-Akt、TNF、MAPK 等相关信号通路。

结论

基于网络药理学和分子对接分析,本研究表明三十生新软膏可以通过多成分、多靶点、多途径治疗 PU。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cc46/10906572/34cd5f73ab04/medi-103-e37390-g001.jpg

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