茶叶科学2024，Vol.44Issue(4)：665-682,18.
基于网络药理学对发花茶梗活性成分的预测分析
Prediction and Analysis of Active Components in Tea Stem Fermented Product Based on Network Pharmacology
摘要
Abstract
Tea stem has a significant impact on the sensory quality for Fucha fermentation product. To explore the active ingredients and targets of tea stems in Fucha,Aspergillus cristatus LJSC.2006 (GenBank accession number:MZ147020) was used to ferment tea stem and obtain the end products. Non-targeted metabolomics (LC-MS/MS),network pharmacology,and molecular docking were used to verify the experimental results. Based on partial least squares discriminant analysis (OPLS-DA),295 kinds of non-targeted metabolites with differential expression between the fermented tea stem and raw tea stem were identified,including 41 carbohydrates,37 organic acids,33 phenols and derivatives,27 terpenoids,26 amines,24 nitrogen-containing heterocyclic compounds,21 esters,19glyeosides,15 flavonoids and derivatives,14 amino acids and derivatives,9 steroids and derivatives,9 alkaloids,6phenolic acids,6 coumarins and derivatives,1 catechin and derivatives and 7 others. The network pharmacological analysis show that there were 16 potential active ingredients acting on 248 targets,and 13 potential central targets were obtained through Protein-Protein Interaction (PPI) screening. According to the results of molecular docking,coumestrol,galangin,luteolin and crocetin were the main central active ingredients. EGFR,ESR1,SRC and PTGS2were the main targets of tea stem fermented by Aspergillus cristatus.关键词
冠突曲霉LJSC.2006/茶梗/非靶向代谢组学/网络药理学Key words
Aspergillus cristatus LJSC.2006/tea stem/non-targeted metabolomics/network pharmacology分类
农业科技引用本文复制引用
何淏天,肖娟娟,汤依钰,罗密,刘仲华,禹利君..基于网络药理学对发花茶梗活性成分的预测分析[J].茶叶科学,2024,44(4):665-682,18.基金项目
湖南省科技厅重点研发计划(2024JK2153)、湖南省科技厅重大专项(2021NK1020)、湖南省高新技术产业科技创新引领计划(2021GK4019)、国家现代农业产业技术体系(CARS-19) （2024JK2153）
