通过网络药理学、生物信息学和分子对接分析确定半夏泻心汤指标成分治疗胃癌的作用机制

IF 2.8 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Journal of Chemistry Pub Date : 2024-01-13 DOI:10.1155/2024/4309908
Xiaoji Niu, Mingyue Ma, Shoumei Wang, Aiyan Hu, Yi Xu, Liang Zhu, Shuhui Zhang
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引用次数: 0

摘要

半夏泻心汤(BXD)是一种广泛用于治疗胃肠道疾病(包括胃癌)的传统处方。本研究旨在通过网络药理学、生物信息学和分子对接分析,探讨半夏泻心汤抗胃癌作用的潜在机制,为今后的研究铺平道路。网络药理学分析使用了BXD指数成分,以提高可靠性和有效性。通过Lasso和Cox回归分析确定的预后相关基因被认为是潜在的BXD胃癌核心靶点。功能富集分析揭示了 BXD 在胃癌中的潜在作用机制。此外,还采用了 BXD 的指数成分与核心靶点的分子对接来验证研究结果。本研究获得了BXD的6个指数成分和155个相应的抗胃癌靶点。预后特征模型中的ANXA5、CYP19A1、FGF1和F2被确定为BXD指数成分的核心靶点。蛋白质-蛋白质相互作用网络和功能富集分析表明,癌症中的蛋白多糖、PI3K-Akt和其他通路都参与其中。分子对接结果显示,六种指数成分与核心靶标的结合亲和力良好至强。结果表明,BXD的指数成分作用于胃癌的多个通路和靶点。我们的研究为进一步研究 BXD 的抗胃癌活性和机制铺平了道路。
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Identification of the Mechanism of Action of the Index Components of Banxia Xiexin Decoction for Gastric Cancer through Network Pharmacology, Bioinformatics, and Molecular Docking Analysis
Banxia Xiexin decoction (BXD) is a traditional prescription widely used to treat gastrointestinal conditions, including gastric cancer. Through network pharmacology, bioinformatics, and molecular docking analysis, this study aimed to investigate the potential mechanism of the antigastric cancer effect of BXD and pave the way for future research. The network pharmacology analysis used BXD index components to improve reliability and validity. Prognosis-related genes identified through Lasso and Cox regression analysis were considered potential BXD core targets for gastric cancer. Functional enrichment analysis was conducted to uncover the potential mechanism of action of BXD in gastric cancer. In addition, molecular docking of the index components of BXD and the core targets was used to validate the results. The present study obtained six index components of BXD and 155 corresponding antigastric cancer targets. ANXA5, CYP19A1, FGF1, and F2 in the prognostic signature model were identified as core targets of the index components of BXD. Protein-protein interaction networks and functional enrichment analysis indicated that proteoglycans in cancer, PI3K-Akt, and other pathways were involved. According to molecular docking results, six index components showed good-to-strong binding affinities to the core targets. The results indicated that the index components of BXD act on multiple pathways and targets of gastric cancer. Our study paved the way for further investigation of the antigastric cancer activity and mechanisms of BXD.
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来源期刊
Journal of Chemistry
Journal of Chemistry CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
5.90
自引率
3.30%
发文量
345
审稿时长
16 weeks
期刊介绍: Journal of Chemistry is a peer-reviewed, Open Access journal that publishes original research articles as well as review articles in all areas of chemistry.
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