首页|基于网络药理学与分子模拟的"黄芪补肺饮"协同氧化及3D打印研究

基于网络药理学与分子模拟的"黄芪补肺饮"协同氧化及3D打印研究

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采用网络药理学和分子对接技术对"黄芪补肺饮"调节氧化应激分子机制进行研究,筛选出主要活性成分(山奈酚、槲皮素、豆甾醇)和核心靶点(4KT1、MMP9、CASP3),通过基因本体(GO)和京都基因与基因组百科全书(KEGG)通路富集分析,从分子水平推测其在"黄芪补肺饮"抗氧化应激过程中的作用.分子对接结果显示:活性成分与靶点均能结合形成稳定构象,揭示了"黄芪补肺饮"多成分、多靶点、多通路的特点与优势.联合指数的体外抗氧化实验表明:乌梅、黄芪、五味子、麦冬的最佳配比为4∶1∶1∶4,显示出最高清除率及最佳协同效果.利用3D打印技术将最佳配比的"黄芪补肺饮"制成凝胶,能提高其便捷性和缓释能力,为传统食疗的规模化生产提供了新思路.
Study on synergistic oxidation and 3D printing of"Huangqi Bufei Yin"based on network pharmacology and molecular docking
In this research,the molecular mechanism of"Huangqi Bufei Yin"regulating oxidative stress was studied using network pharmacology and molecular docking.The main active ingredients(kaempferol,querce-tin and stigmasterol)and core targets(AKT1,MMP9 and CASP3)were screened out.Through Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis,the role of these components in the antioxidative stress process of"Huangqi Bufei Yin"was inferred at the molecular lev-el.The molecular docking results showed that the active ingredients could bind to the targets to form stable conformations,revealing the characteristics and advantages of"Huangqi Bufei Yin"in terms of the multi-com-ponent,multi-target and multi-pathway.In addition,in vitro antioxidant experiment based on the combination index indicated that the optimal ratio of Mume fructus,Hedysarum multijugum maxim,Schisandrae chinensis fructus and Ophiopogon japonicus was 4∶1∶1∶4,showing the highest scavenging rate and best synergistic effect.Using 3D printing technology,the optimally ratioed of"Huangqi Bufei Yin"was made into a gel,im-proving its convenience and slow-release ability,providing a new idea for the large-scale production of tradi-tional diet therapy.

"Huangqi Bufei Yin"oxidative stressnetwork pharmacologymolecular dockingantioxidant capacitycombination index

高鸣远、任晨汐、冯怡宁、李宁、肖丽霞、杨振泉、关天竺

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扬州大学食品科学与工程学院,江苏扬州 225127

黄芪补肺饮 氧化应激 网络药理学 分子对接 抗氧化能力 联合指数

国家自然科学基金面上项目新疆特色药食用植物资源化学实验室开放课题项目江苏省研究生科研与实践创新计划资助项目江苏省研究生科研与实践创新计划资助项目

32372368KSUZDSYS202305KYCX24_3866KYCX23_3561

2024

10.19913/j.cnki.2095-8730msyj.2024.03.13

美食研究
扬州大学

美食研究

CHSSCD北大核心
影响因子：0.243
ISSN：1009-4717
年,卷(期)：2024.41(3)
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