文献类型：期刊文献

中文题名：菊花改善视网膜光损伤的关键活性成分解析

英文题名：Analysis of the Key Active Ingredients in Chrysanthemum That Help Repair Retinal Photodamage

作者：Liu, Gaigai[1,2]; Yu, Chao[3]; Liu, Miaomiao[4]; Lu, Jiamin[1]; Chang, Xinyue[1]; Yan, Wenjie[1]

第一作者：Liu, Gaigai

机构：[1] College of Biochemical Engineering, Beijing Union University, Beijing Key Laboratory of Bioactive Substances and Functional Foods, Beijing, 100023, China; [2] China National Center for Food Safety Risk Assessment, Beijing, 100022, China; [3] Center for Food Evaluation, State Administration for Market Regulation, Beijing, 100070, China; [4] Qiqihar Medical University, Heilongjiang, Qiqihar, 161006, China

第一机构：北京联合大学生物化学工程学院|北京联合大学应用文理学院

年份：2026

卷号：26

期号：5

起止页码：24-42

外文期刊名：Journal of Chinese Institute of Food Science and Technology

收录：EI(收录号：20262620979033)

语种：中文

外文关键词：Analytic hierarchy process - Binding energy - Bioinformatics - Diagnosis - Free energy - Hierarchical systems - K-means clustering - Learning systems - Logistic regression - Molecular docking - Molecular modeling - Ophthalmology - Oxidative stress - Pathology - Rats

摘要：This study integrates computational biology techniques, including network pharmacology, molecular docking, molecular dynamics simulations, and machine learning models, and combines them with animal experiments to identify the key bioactive components in chrysanthemum that alleviate light-induced retinal damage. Through network pharmacology screening, 51 active components of chrysanthemum and 341 targets related to retinal photodamage were identified. Protein-protein interaction (PPI) network analysis and functional enrichment revealed that their mechanisms of action involve core pathways such as inflammation and oxidative stress. Seven core candidate components were selected for molecular docking with seven key targets, including AKT1. After weighting using a combination of the analytic hierarchy process (AHP) and entropy weighting, the candidate compounds were comprehensively ranked using K-means clustering, logistic regression modeling (LRM), and gaussian naive bayes (GNBM) models. Quercetin ranked first and was preliminarily identified as one of the core active components in chrysanthemum for improving retinal photodamage. Further validation via molecular dynamics simulations confirmed that the binding free energy of quercetin with the AKT1 protein reached -185.692 kJ/mol, indicating good binding stability and affinity between the two. In vivo experiments using a rat model of retinal photodamage demonstrated that quercetin ameliorated retinal injury in a dose-dependent manner. Compared with the normal group, the contents of TNF-α in the lacrimal gland, IL-1β and MDA in the retina of the model group increased by 18.10%, 39.22% and 134.09%, respectively, while retinal SOD activity decreased by 33.33%. Intervention with quercetin markedly regulated the above inflammatory factors and oxidative stress indicators. Specifically, the high-dose group reduced lacrimal gland TNF-α, retinal IL-1β and retinal MDA contents by 21.74%, 21.70% and 71.84%, and increased retinal SOD activity by 100.00%, showing the optimal overall intervention effect. Through precise screening using multidimensional computational biology techniques combined with in vivo experimental validation, this study had established that quercetin is the key active component in chrysanthemum's ability to alleviate retinal photodamage. By specifically binding to AKT1, quercetin exerts antioxidant and anti-inflammatory effects, providing a solid theoretical and experimental basis for the development and application of chrysanthemum in the field of retinal photodamage protection. ? 2026, Chinese Institute of Food Science and Technology. All rights reserved.