A Network Pharmacology Prediction and Molecular Docking-Based Strategy to Explore the Potential Pharmacological Mechanism of Astragalus membranaceus for Glioma

被引:13
|
作者
Feng, Yu [1 ,2 ]
Zhu, Peng [2 ]
Wu, Dong [2 ]
Deng, Wenbin [1 ]
机构
[1] Sun Yat Sen Univ, Sch Pharmaceut Sci Shenzhen, Shenzhen Campus, Shenzhen 518107, Peoples R China
[2] Chinese Acad Sci, Zhuhai Inst Adv Technol, Comp Aided Drug Discovery Ctr, Zhuhai 519003, Peoples R China
关键词
Astragalus membranaceus; glioma; network pharmacology; molecular docking; SCUTELLARIA-BAICALENSIS; PHOSPHORYLATION; APOPTOSIS; CELLS; DIFFERENTIATION; IDENTIFICATION; PHYTOCHEMISTRY; INFORMATION; COMPONENTS; DECOCTION;
D O I
10.3390/ijms242216306
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Glioma treatment in traditional Chinese medicine has a lengthy history. Astragalus membranaceus, a traditional Chinese herb that is frequently utilized in therapeutic practice, is a component of many Traditional Chinese Medicine formulas that have been documented to have anti-glioma properties. Uncertainty persists regarding the molecular mechanism behind the therapeutic effects. Based on results from network pharmacology and molecular docking, we thoroughly identified the molecular pathways of Astragalus membranaceus' anti-glioma activities in this study. According to the findings of the enrichment analysis, 14 active compounds and 343 targets were eliminated from the screening process. These targets were mainly found in the pathways in cancer, neuroactive ligand-receptor interaction, protein phosphorylation, inflammatory response, positive regulation of phosphorylation, and inflammatory mediator regulation of Transient Receptor Potential (TRP) channels. The results of molecular docking showed that the active substances isoflavanone and 1,7-Dihydroxy-3,9-dimethoxy pterocarpene have strong binding affinities for the respective targets ESR2 and PTGS2. In accordance with the findings of our investigation, Astragalus membranaceus active compounds exhibit a multicomponent and multitarget synergistic therapeutic impact on glioma by actively targeting several targets in various pathways. Additionally, we propose that 1,7-Dihydroxy-3,9-dimethoxy pterocarpene and isoflavanone may be the main active ingredients in the therapy of glioma.
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页数:23
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