通过生物信息学分析阐明黄芪对结直肠癌患者的作用机制

IF 3.5 4区 医学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Current medicinal chemistry Pub Date : 2024-10-31 DOI:10.2174/0109298673344265241014114804
Shuwei Wang, Jiandong Tang, Gan Li, Songbing He
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引用次数: 0

摘要

背景黄芪在治疗结直肠癌(CRC)方面具有积极的临床疗效:本研究旨在确定黄芪的主要活性成分,并确定这些成分在 CRC 患者中的有效靶点:方法:我们在中药系统药理学数据库和癌症基因组图谱中鉴定了黄芪的活性成分和差异表达基因。此外,我们还使用 R 软件包 clusterProfiler 对差异靶基因(DTGs)进行了富集分析。利用斯皮尔曼法和 NetworkAnalyst 对生物标志物进行了免疫细胞相关性分析和非编码调控网络构建。最后,使用 Autodock Vina 软件对生物标志物及其相应的分子药物进行了分子对接:结果:通过筛选,我们发现了黄芪中的 20 种活性成分和 1 403 个靶基因。共筛选出 2 300 个差异表达基因和 3 035 个 CRC 中心基因。将目标基因与所发现的显著差异表达基因和枢纽基因整合后,共产生了 86 个 DTGs。随后,研究结果显示了 828 个富集的 GO 生物过程、184 个富集的 GO 分子功能、59 个富集的 GO 细胞组分和 46 个富集的 KEGG 通路。我们还获得了涉及 67 个节点的 143 对 PPI。此外,我们还构建了 45 个 mRNA-TF 对、101 个 miRNA-mRNA 对和 200 个 miRNA- mRNA-TF 三联体。最后,对活性成分槲皮素与 F2 和 UGT1A1 以及甲酸与 FGA、AHSG 和 KNG1 进行了分子对接:本研究确定了黄芪的活性成分及其在 CRC 中的相应靶点。这些发现为 CRC 患者的精准药物治疗提供了有力的证据。
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Elucidating the Mechanisms of Astragalus Membranaceus in Colorectal Cancer Patients through Bioinformatics Analysis.

Background: Astragalus membranaceus has shown positive clinical efficacy in treating colorectal cancer (CRC).

Objective: This study aimed to identify the key active components of Astragalus and determine effective targets of these components in CRC patients.

Methods: We identified active components of Astragalus membranaceus and differentially expressed genes in traditional Chinese medicine systems pharmacology database and The Cancer Genome Atlas. Additionally, the enrichment analysis of differential target genes (DTGs) was performed using the R-package clusterProfiler. Immunocyte correlation analysis and non-coding regulatory network construction were performed for biomarkers using Spearman's method and NetworkAnalyst. Finally, molecular docking of biomarkers and their corresponding molecule drugs was done with Autodock Vina software.

Results: We identified 20 active components of Astragalus membranaceus and 1 403 target genes through screening. A total of 2 300 differentially expressed genes, and 3 035 hub genes in CRC were screened. The integration of the target genes with the significantly differentially expressed genes and Hub genes identified resulted in a total of 86 DTGs. Subsequently, the results showed 828 enriched GO biological processes, 184 enriched GO molecular functions, 59 enriched GO cellular components, and 46 enriched KEGG pathways. We also obtained a total of 143 PPI pairs involving 67 nodes. Additionally, we constructed 45 mRNA-TF pairs, 101 miRNA-mRNA pairs, and 200 miRNA- mRNA-TF triplets. Finally, molecular docking was performed for the active component quercetin with F2 and UGT1A1 and formic acid with FGA, AHSG, and KNG1.

Conclusion: This study identified the active components of Astragalus membranaceus and their corresponding targets in CRC. These findings provide robust evidence for precision drug therapy in patients with CRC.

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来源期刊
Current medicinal chemistry
Current medicinal chemistry 医学-生化与分子生物学
CiteScore
8.60
自引率
2.40%
发文量
468
审稿时长
3 months
期刊介绍: Aims & Scope Current Medicinal Chemistry covers all the latest and outstanding developments in medicinal chemistry and rational drug design. Each issue contains a series of timely in-depth reviews and guest edited thematic issues written by leaders in the field covering a range of the current topics in medicinal chemistry. The journal also publishes reviews on recent patents. Current Medicinal Chemistry is an essential journal for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important developments.
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