Hui Yu, Yang Dong, Gui-Cheng Zou, Yun-Jie Yang, Meng-Zhen Liu, Cong-Hui Han
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Furthermore, protein-protein interaction (PPI) networks and networks illustrating the connections between ingredients and their ingredient-target (I-T) were established. The related genes underwent gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses. Ultimately, molecular docking experiments were conducted to substantiate and reinforce the proposed hypotheses.</p><p><strong>Results: </strong>Four compounds were identified, along with 82 target genes that exhibited associations with BC. In the I-T network, quercetin exhibited the highest degree of association with multiple targets. Within the PPI network, interleukin (IL)IL-6, hypoxia inducible factor 1 subunit alpha (HIF1A), epidermal growth factor receptor (EGFR), and myelocytomatosis oncogene (MYC) were discerned as pivotal genes. The enrichment analysis of the critical genes led to the identification of 92 GO terms and 105 pathways. 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引用次数: 0
摘要
背景：在中国，小稽汤已被用于治疗血尿。然而，其对膀胱癌（BC）的药理研究仍然有限。目的：利用网络药理学和分子对接的方法，探讨消戟治疗BC的潜在机制。方法：利用中药系统药理学数据库对消戟的有效成分及其相应的分子靶点进行鉴定。利用Online Mendelian Inheritance in Man （OMIM）和GeneCards数据库等资源筛选与BC相关的基因。此外，还建立了蛋白质-蛋白质相互作用（PPI）网络和成分与其成分-靶点（I-T）之间的联系网络。相关基因进行了基因本体（GO）和京都基因与基因组百科全书（KEGG）途径富集分析。最后，我们进行了分子对接实验来证实和强化我们提出的假设。结果：鉴定出4种化合物，以及82个与BC相关的靶基因。在I-T网络中，槲皮素与多个靶点的关联程度最高。在PPI网络中，白细胞介素（IL）IL-6、缺氧诱导因子1亚单位α (HIF1A)、表皮生长因子受体（EGFR）和髓细胞瘤癌基因（MYC）被认为是关键基因。通过对关键基因的富集分析，鉴定出92个氧化石墨烯项和105条通路。此外，分子对接分析结果显示，活性化合物，包括acacetin、谷甾醇和豆甾醇，与IL-6、EGFR和MYC具有很强的结合亲和力。结论：消戟对BC有多靶点、多途径的作用。本研究阐明了消积治疗BC的潜在机制，为BC的治疗提供了新的选择。
Exploring the molecular mechanism of Xiao Ji (Cirsium setosum) in treating bladder cancer using network pharmacology and molecular docking.
Background: In China, Xiao Ji decoction has been used to treat hematuria. However, pharmacological studies on its effects against bladder cancer (BC) remain limited.
Objective: This study aims to explore the potential mechanisms of Xiao Ji in treating BC using network pharmacology and molecular docking.
Methods: The active constituents of Xiao Ji and their corresponding molecular targets were identified through the utilization of the Traditional Chinese Medicine Systems Pharmacology Database. Genes associated with BC were screened by employing resources including the Online Mendelian Inheritance in Man (OMIM) and GeneCards databases. Furthermore, protein-protein interaction (PPI) networks and networks illustrating the connections between ingredients and their ingredient-target (I-T) were established. The related genes underwent gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses. Ultimately, molecular docking experiments were conducted to substantiate and reinforce the proposed hypotheses.
Results: Four compounds were identified, along with 82 target genes that exhibited associations with BC. In the I-T network, quercetin exhibited the highest degree of association with multiple targets. Within the PPI network, interleukin (IL)IL-6, hypoxia inducible factor 1 subunit alpha (HIF1A), epidermal growth factor receptor (EGFR), and myelocytomatosis oncogene (MYC) were discerned as pivotal genes. The enrichment analysis of the critical genes led to the identification of 92 GO terms and 105 pathways. Furthermore, the results of molecular docking analyses revealed that the active compounds, including acacetin, sitosterol, and stigmasterol, exhibited strong binding affinities with IL-6, EGFR, and MYC.
Conclusions: Xiao Ji acts on BC through multiple targets and pathways. This study elucidates the potential mechanisms of Xiao Ji in treating BC, providing new options for BC therapy.
期刊介绍：
Asian Biomedicine: Research, Reviews and News (ISSN 1905-7415 print; 1875-855X online) is published in one volume (of 6 bimonthly issues) a year since 2007. [...]Asian Biomedicine is an international, general medical and biomedical journal that aims to publish original peer-reviewed contributions dealing with various topics in the biomedical and health sciences from basic experimental to clinical aspects. The work and authorship must be strongly affiliated with a country in Asia, or with specific importance and relevance to the Asian region. The Journal will publish reviews, original experimental studies, observational studies, technical and clinical (case) reports, practice guidelines, historical perspectives of Asian biomedicine, clinicopathological conferences, and commentaries
Asian biomedicine is intended for a broad and international audience, primarily those in the health professions including researchers, physician practitioners, basic medical scientists, dentists, educators, administrators, those in the assistive professions, such as nurses, and the many types of allied health professionals in research and health care delivery systems including those in training.
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