余甘子多酚口服液工艺优化与衰老相关靶点的网络药理学分析OA
Optimization of processing technique for Phyllanthus emblica polyphenol oral liquid and network pharmacology analysis of aging-related targets
研究分析并优化余甘子多酚口服液的提取工艺,采用网络药理学和分子对接技术分析余甘子多酚干预衰老的机制.首先采用单因素实验,考察料液比、温度和时间对余甘子提取液中总酚含量的影响.用Box-Bebnken中心组和实验设计法优化料液比、温度、时间因素.以提取液中总酚含量为响应值.通过中药系统药理学数据库与分析平台(TCMSP)、PubChem数据库获取余甘子多酚类化合物及结构式i SwissTargetPrediction数据库获取余甘子多酚类化合物的作用靶点;通过GeneCards等数据库检索衰老相关靶点.以Cytoscape_v3.9.1、String11.5、David数据库构建药物-成分-基因靶点网络图、蛋白质-蛋白质相互作用(PPI)网络及核心靶点、余甘子多酚与衰老的共有靶点,并进行基因本体(GO)分析及基因组百科全书(KEGG)富集分析;利用微生信平台进行可视化作图.经AutoDock和Pymol软件进行分子对接.结果显示:余甘子多酚最佳提取工艺参数为:料液比1∶22、温度45 ℃、时间53 min.基于上述参数测得余甘子提取液中的多酚含量为10.28±0.159 mg/mL.最终筛选出8种多酚化合物以及96个"多酚-衰老"交集靶点.GO分析发现"多酚-衰老"交集靶点主要参与信号传导、凋亡的负调控等生物过程;KEGG富集分析发现余甘子主要影响癌症通路、内分泌抵抗等通路.分子对接结果显示余甘子多酚与关键靶点均具有较强的结合活性.其中,鞣花酸与SRC的结合能力最强.综上所得,余甘子多酚中活性成分通过多靶点、多通路干预衰老.其中,槲皮素、叶下珠脂素、木犀草素等关键活性成分可能靶向AKT1、SRC、EGFR等基因/蛋白,干预衰老.
The extraction process of Phyllanthus emblica polyphenol oral liquid was optimized,the mechanism of anti-aging intervention by polyphenols from Phyllanthus emblic was analyzed using network pharmacology and molecular docking techniques.The effects of solid-liquid ratio,temperature and time on the content of total phenol in the extract of Phyllanthus emblica were investigated by single factor experiments.The factors of solid-liquid ratio,temperature and time were optimized using the Box-Bebnken center group and the experimental design method,with the total phenol content in the extract as the response value.The polyphenolic compounds and structural formulas of Phyllanthus embrica were obtained through the System Pharmacology Database and Analysis Platform of Traditional Chinese Medicine(TCMSP)and the PubChem database.The SwissTargetPrediction database was used to obtain the target sites of polyphenolic compounds from Phyllanthus emblica.Aging-related targets were searched using databases such as GeneCards.The Cytoscape_v3.9.1,String11.5 and David databases were used to construct the drug-component-gene target network diagram,protein-protein interaction(PPI)network and core targets,as well as the common targets of residual glycolic polyphenols and aging,and gene ontology(GO)analysis and KEGG enrichment analysis were conducted;the graph was visualized using the wechat platform.Molecular docking was performed using AutoDock and Pymol software.The results showed that:the optimal extraction process parameters were as follows:solid-liquid ratio of 1∶22,temperature of 45℃,and time of 53 min.Based on the above parameters,the polyphenol content in the extract of Phyllanthus emblica was measured to be 10.28±0.159 mg/mL.The research ultimately screened out 8 polyphenol compounds and 96 intersection targets of"polyphenol-aging".GO analysis revealed that the"polyphenol-senescence"intersection target was mainly involved in biological processes such as signal transduction and negative regulation of apoptosis.KEGG enrichment analysis revealed that Phyllostachya emblica mainly affected cancer pathways,endocrine resistance and other pathways.The results of molecular docking showed that the polyphenols of Phyllanthus emicus had strong binding activity with the key targets.Among them,ellagic acid had the strongest binding ability with SRC.In conclusion,the active components of Phyllanthus emblica polyphenols could interfere with aging through multi-target and multi-pathway.Among them,key active ingredients such as quercetin,subfoliar liptin,and luteolin might target genes/proteins like AKT1,SRC,and EGFR to intervene in aging.
邹靖;吴娜;李梓源;龙声琪;陈芳;潘瑶
南昌大学公共卫生学院,南昌 330038上海市浦东新区高桥社区卫生服务中心,上海 200120南昌大学公共卫生学院,南昌 330038南昌大学食品学院,南昌 330038南昌大学公共卫生学院,南昌 330038南昌大学公共卫生学院,南昌 330038||疾病预防与公共卫生江西省重点实验室,南昌 330038
轻工纺织
余甘子多酚化合物响应面分析靶基因-抗衰老网络药理学分子对接
Phyllanthus emblicapolyphenolresponse surface methodologytarget gene-antiagingnetwork pharmacologymolecular docking
《中国食品添加剂》 2026 (8)
10-27,18
江西省自然科学基金青年基金项目(20224BAB216089)江西省自然科学基金面上项目(20242BAB25534)
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