Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking Study.

IF 2.8 Q3 MICROBIOLOGY
International Journal of Microbiology Pub Date : 2024-10-29 eCollection Date: 2024-01-01 DOI:10.1155/2024/4286228
Sehar Aslam, Muhammad Qasim, Fatima Noor, Muhammad Shahid, Usman Ali Ashfaq, Samman Munir, Helal F Al-Harthi, Mutaib M Mashraqi, Umair Waqas, Mohsin Khurshid
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引用次数: 0

Abstract

Hepatocellular carcinoma (HCC) is a leading cause of cancer-related deaths worldwide, posing significant challenges and economic burdens on healthcare systems. Gut microbiota metabolites have shown promise in cancer treatment, but the specific active metabolites and their key targets remain unclear. This study employed a network pharmacology-based approach to identify potent metabolites of gut microbiota and their key targets. Active metabolites produced by gut microbiota were retrieved using the database gutMGene, and targets associated with these metabolites were identified using the Swiss Target Prediction tool. HCC-related targets were obtained from the GeneCards database, and overlapping targets were selected through a Venn diagram tool. An integrated metabolites-target-pathway network was analyzed to identify active inhibitors against HCC, including p-cresol glucuronide, secoisolariciresinol, glycocholic acid, enterodiol, and citric acid. Molecular docking tests were performed to validate the findings and assess the binding affinity of the metabolites with their target proteins. The study identified AKT1, EGFR, ALB, and TNF genes as potential therapeutic targets against hepatic cancer. The metabolites, p-cresol glucuronide, secoisolariciresinol, glycocholic acid, enterodiol, and citric acid, exhibited significant binding affinity with their respective target proteins. The study also revealed multiple signaling pathways and biological processes associated with the metabolites, demonstrating their preventive effect against HCC. This research utilizes a network pharmacology-based approach to identify potent metabolites of gut microbiota and their key targets for the treatment of HCC. The findings were validated through molecular docking tests, providing a foundation for future studies on anti-HCC metabolites and their mechanisms of action. Furthermore, this study offers insights into the development of novel anti-HCC drugs utilizing gut microbiota metabolites.

肠道微生物群中抗肝细胞癌的潜在靶代谢物:网络药理学和分子对接研究
肝细胞癌(HCC)是全球癌症相关死亡的主要原因,给医疗保健系统带来了巨大的挑战和经济负担。肠道微生物群代谢物已显示出治疗癌症的前景,但具体的活性代谢物及其关键靶点仍不清楚。本研究采用了一种基于网络药理学的方法来鉴定肠道微生物群的有效代谢物及其关键靶点。利用数据库 gutMGene 检索了肠道微生物群产生的活性代谢物,并利用瑞士靶点预测工具确定了与这些代谢物相关的靶点。与 HCC 相关的靶点来自 GeneCards 数据库,并通过维恩图工具筛选出重叠的靶点。通过分析代谢物-靶点-途径综合网络,确定了针对 HCC 的活性抑制剂,包括对甲酚葡萄糖醛酸苷、仲异落叶松脂醇、甘油胆酸、肠二醇和柠檬酸。研究人员进行了分子对接测试,以验证研究结果并评估代谢物与其靶蛋白的结合亲和力。研究发现 AKT1、表皮生长因子受体、ALB 和 TNF 基因是肝癌的潜在治疗靶点。代谢物对甲酚葡萄糖醛酸内酯、仲异落叶松脂醇、甘油胆酸、肠二醇和柠檬酸与各自的靶蛋白具有显著的结合亲和力。研究还揭示了与这些代谢物相关的多种信号通路和生物过程,证明了它们对 HCC 的预防作用。这项研究利用基于网络药理学的方法来鉴定肠道微生物群的强效代谢物及其治疗 HCC 的关键靶点。这些发现通过分子对接测试得到了验证,为今后研究抗 HCC 代谢物及其作用机制奠定了基础。此外,这项研究还为利用肠道微生物群代谢物开发新型抗 HCC 药物提供了启示。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
7.90
自引率
0.00%
发文量
57
审稿时长
13 weeks
期刊介绍: International Journal of Microbiology is a peer-reviewed, Open Access journal that publishes original research articles, review articles, and clinical studies on microorganisms and their interaction with hosts and the environment. The journal covers all microbes, including bacteria, fungi, viruses, archaea, and protozoa. Basic science will be considered, as well as medical and applied research.
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