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

被引:14
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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共 80 条
  • [1] Altieri R, 2014, TRANSL MED UNISA, V10, P29
  • [2] The crucial role of protein phosphorylation in cell signaling and its use as targeted therapy
    Ardito, Fatima
    Giuliani, Michele
    Perrone, Donatella
    Troiano, Giuseppe
    Lo Muzio, Lorenzo
    [J]. INTERNATIONAL JOURNAL OF MOLECULAR MEDICINE, 2017, 40 (02) : 271 - 280
  • [3] Computing topological parameters of biological networks
    Assenov, Yassen
    Ramirez, Fidel
    Schelhorn, Sven-Eric
    Lengauer, Thomas
    Albrecht, Mario
    [J]. BIOINFORMATICS, 2008, 24 (02) : 282 - 284
  • [4] An automated method for finding molecular complexes in large protein interaction networks
    Bader, GD
    Hogue, CW
    [J]. BMC BIOINFORMATICS, 2003, 4 (1)
  • [5] Bekker H., 1993, Gromacs: A parallel computer for molecular dynamics simulations
  • [6] Dissecting the role of protein phosphorylation: a chemical biology toolbox
    Bilbrough, Tim
    Piemontese, Emanuele
    Seitz, Oliver
    [J]. CHEMICAL SOCIETY REVIEWS, 2022, 51 (13) : 5691 - 5730
  • [7] Exploring the Mechanism of White Peony in the Treatment of Lupus Nephritis Based on Network Pharmacology and Molecular Docking
    Cao, Yao
    Wang, Chaoban
    Dong, Liqun
    [J]. ARCHIVOS ESPANOLES DE UROLOGIA, 2023, 76 (02): : 123 - 131
  • [8] Scutellaria baicalensis and Cancer Treatment: Recent Progress and Perspectives in Biomedical and Clinical Studies
    Cheng, Chien-Shan
    Chen, Jie
    Tan, Hor-Yue
    Wang, Ning
    Chen, Zhen
    Feng, Yibin
    [J]. AMERICAN JOURNAL OF CHINESE MEDICINE, 2018, 46 (01): : 25 - 54
  • [9] cytoHubba: identifying hub objects and sub-networks from complex interactome
    Chin, Chia-Hao
    Chen, Shu-Hwa
    Wu, Hsin-Hung
    Ho, Chin-Wen
    Ko, Ming-Tat
    Lin, Chung-Yen
    [J]. BMC SYSTEMS BIOLOGY, 2014, 8
  • [10] Targeting RTK-PI3K-mTOR Axis in Gliomas: An Update
    Colardo, Mayra
    Segatto, Marco
    Di Bartolomeo, Sabrina
    [J]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2021, 22 (09)