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基于网络药理学探究何首乌有效成分含量与抗肿瘤活性

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目的 基于网络药理学探究广东省不同产地的12批次何首乌主要活性成分EBYXG和蒽醌类化合物(大黄素、大黄素甲醚)的抗氧化和抗肿瘤活性机制,并通过测定化合物质量分数,对何首乌的质量进行评价.方法 通过HPLC法测定12批次何首乌样品中EBYXG与大黄素、大黄素甲醚的质量分数.通过SwissTargetPrediction、SuperPred数据库筛选成分作用靶点,利用Uniprot进行校准.通过String数据库、Cytoscape3.7.2软件筛选核心靶点,绘制蛋白互作网络;通过DAVID数据库进行GO和KEGG富集分析预测药物作用机制.利用AutoDock平台进行分子对接,预测药物作用靶点程度,结合细胞及抗氧化实验,验证网络药理学分析结果.结果 12批何首乌样品中EBYXG、蒽醌类化合物含量分别在1.526%~3.936%、0.129%~1.390%.找到"成分-疾病"交集基因共179个.GO与KEGG富集分析结果显示EBYXG、大黄素、大黄素甲醚主要通过PI3K-Akt、HIF-1、MAPK、cAMP等信号通路发挥抗氧化、抗肿瘤作用.分子对接结果显示,活性成分可以与靶点蛋白中心相结合.抗氧化及细胞试验证明,12批次何首乌均具有良好的抗氧化、抗肿瘤活性.结论 广东省不同产地何首乌中的主要有效成分EBYXG、大黄素、大黄素甲醚质量分数均达到2020年版《中华人民共和国药典》规定.基于网络药理学及药理试验证实何首乌可通过多成分、多靶点、多信号通路产生抗氧化、抗肿瘤的功效,为何首乌在抗肿瘤领域的应用提供参考.
Study on the Correlation between the Bioactive Constituents of Polygonum multiflorum Thunb.and its Antitumor Properties based on network pharmacology
Objective The study investigated the antioxidant and anti-tumor activity mechanisms of the primary active ingredients EBYXG and anthraquinone compounds(emodin,physcione)in 12 batches of Polygonum multiflorum Thunb.sourced from various regions within Guangdong Province by network pharmacology.Additionally,the quality of P.multiflorum Thunb.was assessed by quantifying the levels of these compounds.Methods The contents of EBYXG,emodin,and Physcione in twelve batches of P.multiflorum Thunb.samples were determined by HPLC.The potential interactions of these components were assessed by the SwissTargetPrediction and SuperPred databases,with calibration by Uniprot.Main targets were identified by the String database and a protein interaction network was constructed by Cytoscape 3.7.2 software.Furthermore,GO and KEGG enrichment analyses were conducted by the DAVID database to predict the mechanisms of drug action.Results 12 batches of P.multiflorum Thunb.samples had EBYXG content ranging from 1.526%-3.936%and anthraquinone compounds ranging from 0.129%-1.390%.179 genes were found to intersect between these components and diseases.The findings from GO and KEGG enrichment analysis suggested that EBYXG,emodin,and Physcione primarily elicited antioxidant and anti-tumor effects via signaling pathways including PI3K-Akt,HIF-1,MAPK,and cAMP.Molecular docking results indicated the ability of these active components to interact with target protein centers.Antioxidant and cell experiments confirmed the antioxidant and anti-tumor activities of all 12 batches of P.multiflorum Thunb.Conclusion The primary bioactive compounds EBYXG,emodin,and Physcione found in various sources of P.multiflorum Thunb.from Guangdong Province have been shown to comply with the standards outlined in the 2020 edition of the Pharmacopoeia of the People's Republic of China.Based on the network pharmacology and pharmacological studies,it has been established that P.multiflorum Thunb.possesses antioxidative and anti-tumor properties mediated by a variety of components,targets,and signaling pathways,which will offer valuable insights for the potential utilization of P.multiflorum Thunb.in anti-tumor therapies.

Polygonum multiflorum Thunb.Network Pharmacologyantioxidantanti-tumorHPLC

杨茗铄、孙艳涛、吴继婷、林子程、梁丽轩、潘嘉琪、潘利明

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广东药科大学中药学院,广东 广州 510006

国家中医药管理局岭南药材生产与开发重点研究室,广东 广州 510006

国家中药材产业技术体系广州综合试验站,广东 广州 510006

广东省南药规范化种植与综合开发工程技术研究中心,广东 广州 510006

淄博市食品药品检验研究院,山东 淄博 255086

广东药科大学药学院,广东 广州 510006

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何首乌 网络药理学 抗氧化 抗肿瘤 HPLC法

广东省岭南中药材保护资金项目(2017)广东省科技厅项目

粤财社[2017]60号2017A020213023

2024

广东药科大学学报
广东药学院

广东药科大学学报

CSTPCD
影响因子:0.698
ISSN:1006-8783
年,卷(期):2024.40(3)