基于网络药理学和分子对接的高 ACE 抑制率药食同源化合物溶液的降压机制

IF 4.8 1区 农林科学 Q1 FOOD SCIENCE & TECHNOLOGY Food Bioscience Pub Date : 2024-09-10 DOI:10.1016/j.fbio.2024.105077
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引用次数: 0

摘要

某些药食同源(MFH)具有降压作用,对高血压有一定的治疗效果,但其治疗高血压和改善血压的机制尚不清楚。本研究的目的是分析具有高血管紧张素转换酶(ACE)抑制率的 MFH 复方溶液(山楂:枸杞子:决明子=4:1:1)的潜在生物活性物质及其降压机制。这将通过使用网络药理学和分子对接技术来实现,并将通过实验测试进一步验证。通过构建成分-疾病靶点网络,获得了 MFH 复方制剂中的关键成分,并利用基因本体(GO)和京都基因组百科全书(KEGG)通路分析,探索了 MFH 复方制剂参与抗高血压的通路。高效液相色谱法(HPLC)鉴定了MFH复方溶液中主要活性成分的含量。主要有效成分为槲皮素、β-谷甾醇、豆甾醇、山奈酚和异鼠李素,鉴定的核心基因为AKT1和TP53。通过通路分析,MFH 复方溶液防治高血压的机制可能是脂质与动脉粥样硬化、钙信号通路、PI3K-AKT 信号通路等。此外,五个关键化合物与前五个靶点的分子对接验证了网络药理学结果的可靠性。高效液相色谱分析显示,MFH化合物溶液中检测到了这五种活性物质,其中山奈酚的含量最高。这项研究揭示了 MFH 复合物通过多个靶点和途径发挥降血压作用。
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Antihypertensive mechanism of the medicine food homology compound solution with high ACE inhibition rate based on network pharmacology and molecular docking

Certain instances of medicine food homology (MFH) have an antihypertensive effect, which has a therapeutic effect on hypertension, but their mechanism in treating hypertension and improving blood pressure is still unclear. The objective of this study is to analyze the potential bioactive substances and the hypotensive mechanism by which the MFH compound solution (Hawthorn:Lycium barbarum:Cassia = 4:1:1) with a high angiotensin-converting enzyme (ACE) inhibition rate. This will be achieved through the use of network pharmacology and molecular docking techniques, which will be further validated through experimental testing. The key components in the MFH compound solution were obtained by constructing the component-disease target network, and Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis were used to explore the pathways of the MFH compound solution participating in anti-hypertension. The content of the main active ingredients in the MFH compound solution was identified by high-performance liquid chromatography (HPLC). The main active components were quercetin, beta-sitosterol, stigmasterol, kaempferol, and isorhamnetin, while the identified core genes were AKT1 and TP53. Through pathway analysis, the mechanisms of the MFH compound solution against hypertension may be Lipid and atherosclerosis, Calcium signaling pathway, PI3K-AKT signaling pathway, etc. Moreover, the molecular docking of five key compounds and the top five targets verified the reliability of network pharmacology results. HPLC analysis revealed that these five active substances were detected in the MFH compound solution, where kaempferol was the most abundant. This study revealed that the MFH compound exerted a hypotensive effect through multiple targets and pathways.

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来源期刊
Food Bioscience
Food Bioscience Biochemistry, Genetics and Molecular Biology-Biochemistry
CiteScore
6.40
自引率
5.80%
发文量
671
审稿时长
27 days
期刊介绍: Food Bioscience is a peer-reviewed journal that aims to provide a forum for recent developments in the field of bio-related food research. The journal focuses on both fundamental and applied research worldwide, with special attention to ethnic and cultural aspects of food bioresearch.
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