PDF(Pubmed)
Abstract：
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.
CONCLUSIONS: 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.
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.
CONCLUSIONS: 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.
摘要：
目的：利用网络药理学和分子对接，该研究预测了大蒜中的活性化合物，并阐明了它们抑制酒精性肝病（ALD）发展的机制。ALD是一种全球慢性肝病，具有肝细胞癌进展的潜力。
方法：通过筛选TCMSP，确定大蒜的主要活性成分和靶标。TCM-ID,和ETCM数据库。ALD疾病目标来自DisGeNet，GeneCards,和DiGSeE数据库，并通过交叉点确定大蒜的干预目标。使用STRING平台构建蛋白质相互作用网络，用R软件进行GO和KEGG途径富集分析。利用Cytoscape软件建立大蒜成分-疾病-目标网络。使用AutoDockVina软件通过分子对接模拟进行活性成分针对核心靶标的验证。使用从GEO数据库获得的ALD的人测序数据进行核心靶标的表达验证。
结果：将大蒜药物靶标与ALD疾病靶标整合确定了83个靶标基因。通过酒精诱导的ALD小鼠模型的验证支持某些网络药理学发现，这表明大蒜可能通过减轻炎症反应和促进乙醇代谢来阻止疾病进展。
结论：这项研究提供了对大蒜抑制ALD发展的潜在治疗机制的见解。确定的活性成分为进一步研究和开发ALD治疗提供了有希望的途径，强调植物药在肝病管理中的重要性。
方法：通过筛选TCMSP，确定大蒜的主要活性成分和靶标。TCM-ID,和ETCM数据库。ALD疾病目标来自DisGeNet，GeneCards,和DiGSeE数据库，并通过交叉点确定大蒜的干预目标。使用STRING平台构建蛋白质相互作用网络，用R软件进行GO和KEGG途径富集分析。利用Cytoscape软件建立大蒜成分-疾病-目标网络。使用AutoDockVina软件通过分子对接模拟进行活性成分针对核心靶标的验证。使用从GEO数据库获得的ALD的人测序数据进行核心靶标的表达验证。
结果：将大蒜药物靶标与ALD疾病靶标整合确定了83个靶标基因。通过酒精诱导的ALD小鼠模型的验证支持某些网络药理学发现，这表明大蒜可能通过减轻炎症反应和促进乙醇代谢来阻止疾病进展。
结论：这项研究提供了对大蒜抑制ALD发展的潜在治疗机制的见解。确定的活性成分为进一步研究和开发ALD治疗提供了有希望的途径，强调植物药在肝病管理中的重要性。
