Introduction: The chemical analysis of QizhenShengbai Compound (QZSBC) liquid was conducted using ultra-high pressure liquid chromatography tandem quadrupole time-offlight mass spectrometry (UPLC-Q-TOF-MS/MS) to investigate the material basis of QZSBC. Additionally, network pharmacology and molecular docking were employed to predict the potential mechanisms underlying its anti-radiation effects on the hematopoietic system. Methods: The UPLC-Q-TOF-MS/MS method was employed to analyze the chemical components of QZSBC. Additionally, a network pharmacology approach was used to construct a 'drugactive ingredient-target-disease' topological network. A protein-protein interaction (PPI) network was constructed for the disease targets to identify key proteins. Furthermore, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) functional enrichment analyses were performed on these key targets, and the network was validated through molecular docking. Results: GO enrichment analysis revealed significant enrichment in biological processes, such as DNA damage repair, cell cycle regulation, and inflammatory response; KEGG analysis indicated high association with pathways including JAK-STAT, PI3K-Akt, and cell cycle. Molecular docking demonstrated that the active components in QZSBC exhibited strong binding affinity with the core targets. Discussion: Among the 10 core proteins screened, the HSP90 family and SRC were identified as critical nodes in radiation-induced DNA damage repair; the JAK-STAT pathway, mediated by STAT3, plays a central role in the survival and differentiation of hematopoietic stem/progenitor cells, which is highly consistent with the enrichment results. Among the active components, quercetin, luteolin, and others were found to alleviate radiation damage through antioxidant effects and the promotion of DNA repair, while amide compounds, such as Aurantiamide acetate, were reported to bind to HSP90, suggesting a novel mechanism of action. Conclusion: QZSBC may exert its radioprotective effects on the hematopoietic system by acting on key targets, such as HSP90AA1, SRC, and STAT3, through active ingredients, such as Aurantiamide acetate, Licarin A, and Quercetin, thereby interfering with signaling pathways, including DNA damage repair, JAK-STAT, and PI3K-Akt.
Building similarity graph...
Analyzing shared references across papers
Loading...
Shuai Wang
Hai-Hua Shang
L. Chen
Combinatorial Chemistry & High Throughput Screening
Chinese Academy of Medical Sciences & Peking Union Medical College
Institute of Automation
Tianjin Institute of Pharmaceutical Research (China)
Building similarity graph...
Analyzing shared references across papers
Loading...
Wang et al. (Mon,) studied this question.
synapsesocial.com/papers/69bf89a9f665edcd009e97c3 — DOI: https://doi.org/10.2174/0113862073433615251208170013