摘要
应用网络药理学和分子对接技术探讨牡丹果荚的生物活性成分和作用机制,证明其存在开发和利用的潜力。通过对牡丹果荚提取并使用超高效液相色谱-质谱联用技术鉴定其含有88种成分,其中17种成分被选为网络药理学研究对象,对应219个靶点。在基因本体论分析中,交集靶点主要涉及对异源物质刺激的反应等生物过程。京都基因与基因组百科全书信号通路的富集结果主要包括糖尿病并发症中的高级糖基化终末产物-受体信号通路、前列腺癌、白细胞介素-17信号通路、肿瘤坏死因子信号通路等。活性成分与关键靶点之间的分子对接结合能都低于-5.0 kJ/mol,可以稳定结合。综上,牡丹果荚通过多成分、多靶点、多通路参与多种生物过程来发挥抗炎和抗菌作用,研究结果可为牡丹果荚的开发利用提供依据。
The purpose of this study was to explore the bioactive components of Fengdan peony pods and their mechanisms of action by using network pharmacology and molecular docking.A total of 88 components were identified by ultra-high performance liquid chromatography-mass spectrometry(UPLC-MS),among which 17 were selected for network pharmacology,corresponding to 219 targets.Gene ontology(GO)analysis showed that the intersection targets were mainly involved in biological processes such as response to xenobiotic stimulus.The Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment signaling pathways mainly included the advanced glycation end products(AGE)-receptors for advanced glycation end products(RAGE)signaling pathway in diabetic complications,prostate cancer,the interleukin-17(IL-17)signaling pathway,and the tumor necrosis factor(TNF)signaling pathway.The binding energies between the active ingredients and the key targets were all below-5.0 kJ/mol,indicating stable binding.In summary,peony pods participate in various biological processes through multiple components,multiple targets,and multiple pathways to exert anti-inflammatory and antibacterial effects,providing the basis for the development and utilization of peony fruit pods.
作者
张延萍
张晨曦
左海超
高迪
吴琪琪
宋亚飞
赵李缘
ZHANG Yanping;ZHANG Chenxi;ZUO Haichao;GAO Di;WU Qiqi;SONG Yafei;ZHAO Liyuan(School of Chemistry&Chemical Engineering,Henan University of Science and Technology,Luoyang 471000,China)
出处
《食品科学》
北大核心
2025年第4期209-217,共9页
Food Science
关键词
超高效液相色谱-质谱联用技术
牡丹果荚
抗炎和抗菌
分子对接
网络药理学
ultra-high performance liquid chromatography-mass spectrometry
peony pods
anti-inflammatory and antibacterial activity
molecular docking
network pharmacology
作者简介
第一作者:张延萍(1976-)(ORCID:0009-0003-4394-0326),女,副教授,博士,研究方向为天然产物提取活性。E-mail:21centuryzyp@haust.edu.cn。
