探索大蒜对酒精性肝病的治疗潜力:一项网络药理学和实验验证研究。

IF 4.3 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC
Siqi Gao, Tingting Gao, Lizheng Li, Shule Wang, Jie Hu, Ruijing Zhang, Yun Zhou, Honglin Dong
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引用次数: 0

摘要

研究目的该研究利用网络药理学和分子对接,预测大蒜中的活性化合物,并阐明其抑制酒精性肝病(ALD)发展的机制。酒精性肝病(ALD)是一种全球性慢性肝病,有可能诱发肝细胞癌:方法:通过对 TCMSP、TCM-ID 和 ETCM 数据库的筛选,确定了大蒜的主要活性成分和靶点。ALD 疾病靶点来自 DisGeNET、GeneCards 和 DiGSeE 数据库,大蒜的干预靶点通过交叉确定。使用 STRING 平台构建了蛋白质相互作用网络,并使用 R 软件进行了 GO 和 KEGG 通路富集分析。使用 Cytoscape 软件建立了大蒜成分-疾病-靶标网络。使用 AutoDock Vina 软件进行分子对接模拟,验证活性成分与核心靶标的关系。利用从 GEO 数据库获得的 ALD 人类测序数据对核心靶点进行了表达验证:结果:大蒜药物靶点与 ALD 疾病靶点的整合确定了 83 个靶基因。通过酒精诱导的 ALD 小鼠模型进行的验证支持了某些网络药理学发现,表明大蒜可通过减轻炎症反应和促进乙醇代谢来阻碍疾病进展:本研究深入探讨了大蒜抑制 ALD 发展的潜在治疗机制。已确定的活性成分为进一步研究和开发 ALD 治疗方法提供了很好的途径,强调了植物疗法在肝病治疗中的重要性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Exploring the therapeutic potential of garlic in alcoholic liver disease: a network pharmacology and experimental validation study.

Exploring the therapeutic potential of garlic in alcoholic liver disease: a network pharmacology and experimental validation study.

Objective: Employing network pharmacology and molecular docking, the study predicts the active compounds in garlic and elucidates their mechanism in inhibiting the development of alcoholic liver disease (ALD). ALD is a global chronic liver disease with potential for hepatocellular carcinoma progression.

Methods: The main active ingredients and targets of garlic were identified through screening the TCMSP, TCM-ID, and ETCM databases. ALD disease targets were sourced from DisGeNET, GeneCards, and DiGSeE databases, and intervention targets for garlic were determined through intersections. Protein interaction networks were constructed using the STRING platform, and GO and KEGG pathway enrichment analyses were performed with R software. The garlic component-disease-target network was established using Cytoscape software. Validation of active ingredients against core targets was conducted through molecular docking simulations using AutoDock Vina software. Expression validation of core targets was carried out using human sequencing data of ALD obtained from the GEO database.

Results: Integration of garlic drug targets with ALD disease targets identified 83 target genes. Validation through an alcohol-induced ALD mouse model supported certain network pharmacology findings, suggesting that garlic may impede disease progression by mitigating the inflammatory response and promoting ethanol metabolism.

Conclusion: This study provides insights into the potential therapeutic mechanisms of garlic in inhibiting ALD development. The identified active ingredients offer promising avenues for further investigation and development of treatments for ALD, emphasizing the importance of botanical remedies in liver disease management.

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来源期刊
CiteScore
7.20
自引率
4.30%
发文量
567
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