[1]刘新宇,陈星宇,毕鸿昊,等.基于网络药理学和分子对接探讨枸杞子-菟丝子-当归治疗视网膜色素变性的作用机制[J].西部中医药,2025,38(12):79-86.[doi:10.12174/j.issn.2096-9600.2025.12.16]
　LIU Xinyu,CHEN Xingyu,BI Honghao,et al.Exploring the Mechanism of Action of Gouqizi-Tusizi-Angelica in the Treatment of Retinitis Pigmentosa Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2025,38(12):79-86.[doi:10.12174/j.issn.2096-9600.2025.12.16]
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基于网络药理学和分子对接探讨枸杞子-菟丝子-当归治疗视网膜色素变性的作用机制()

《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
38
期数:
2025年12期
页码:
79-86
栏目:
二次研究
出版日期:
2025-12-15

文章信息/Info

Title:
Exploring the Mechanism of Action of Gouqizi-Tusizi-Angelica in the Treatment of Retinitis Pigmentosa Based on Network Pharmacology and Molecular Docking
作者:
刘新宇1, 陈星宇2, 毕鸿昊3, 郭惠怡4, 陈强1
1.中国中医科学院眼科医院，北京 100040
2.中国中医科学院中医基础理论研究所，北京 100700
3.潍坊护理职业学院，潍坊 262500
4.中国中医科学院针灸研究所，北京 100700
Author(s):
LIU Xinyu1, CHEN Xingyu2, BI Honghao3, GUO Huiyi4, CHEN Qiang1
1.Eye Hospital, China Academy of Chinese Medical Sciences, Beijing 100040, China
2.Institute of Basic Theory for Chinese Medicine, China Academy of Chinese Medical Sciences, Beijing 100700, China
3.Weifang Nursing Vocational College, Weifang 262500, China
4.Institute of Acupuncture and Moxibustion, China Academy of Chinese Medical Sciences, Beijing 100700, China
关键词:
视网膜色素变性; 枸杞子; 菟丝子; 当归; 网络药理学; 分子对接
Keywords:
retinitis pigmentosa; angelica; network pharmacology; molecular docking
分类号:
R285
DOI:
10.12174/j.issn.2096-9600.2025.12.16
文献标志码:
A
摘要:
目的采用网络药理学和分子对接技术，初步探讨并验证枸杞子-菟丝子-当归治疗视网膜色素变性（retinitis pigmentosa，RP）的药理机制。 方法三味药的活性成分和靶基因来源于中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）和SwissTarget Prediction数据库。应用Cytoscape 3.9.1软件构建“药物-活性成分-靶点-疾病”网络图，通过OMIM、DrugBank、TTD、Genecards数据库获取RP相关靶基因，根据枸杞子-菟丝子-当归与RP靶点的交集筛选三味药物的核心作用靶点。使用STRING数据库平台构建蛋白质-蛋白质相互作用网络，同时利用DAVID数据库平台对交集靶点进行基因本体（gene ontology，GO）富集分析和KEGG通路富集分析。采用分子对接技术验证主要活性成分与核心靶标的结合能力。 结果从三味中药中共筛选出46种活性成分和525个预测靶点，预测出与RP相关的靶点106个。GO富集分析得到生物过程（biological process，BP）条目496个、细胞成分（cell component，CC）条目72个、分子功能（molecular function，MF）条目98个；KEGG富集分析共筛选得到154条信号通路。枸杞子-菟丝子-当归治疗RP主要通过对细胞外调节蛋白激酶的正向调节、信号转导、蛋白自体磷酸化、对神经元凋亡过程的负向调节、对MAPK级联的正向调节、基因表达的正向调节等途径实现，涉及各类肿瘤通路、PI3K/AKT信号通路、HIF信号通路等；分子对接结果显示，主要成分能与靶蛋白有效结合。 结论枸杞子-菟丝子-当归治疗RP具有多成分、多靶点、多通路的特点，为进一步研究RP的治疗提供了思路。
Abstract:
ObjectiveTo primarily discuss and validate the pharmacological mechanism of Gouqizi(Lycii fructus)-Tusizi(Cuscutae semen)-angelica in the treatment of retinitis pigmentosa (RP) using network pharmacology and molecular docking. MethodsActive ingredients and target genes of three herbs were extracted from TCMSP and SwissTarget Prediction. Cytoscape 3.9.1 software was applied to construct "medicine-active ingredients-targets-disease" network, RP-related target genes were identified from OMIM, DrugBank, TTD and Genecards, the core targets were screened according to the intersections between Gouqizi-Tusizi-angelica and RP targets. STRING platform was adopted to construct protein-protein interactions, meanwhile, DAVID platform was utilized to conduct GO and KEGG enrichment analysis of the intersected targets. The binding capability of the main active ingredient to the core target was validated by molecular docking. ResultsThe study has identified 46 active ingredients and 525 predicted targets from three herbs, and predicted 106 RP-related targets. GO enrichment analysis revealed 496 biological process (BP) entries, 72 cell component (CC) entries and 98 molecular function (MF) entries; KEGG enrichment analysis uncovered 154 signaling pathway. Gouqizi-Tusizi-angelica could treat RP mainly realized by the positive regulation of extracellular regulatory protein kinase, signal transduction, protein autophosphorylation, negative regulation of neuronal apoptosis, positive regulation of MAPK cascade and positive regulation of gene expression, involving various tumor pathways, PI3K/AKT signaling pathway and HIF signaling pathway; the results of molecular docking demonstrated that the main components could effectively bind to the target proteins. Conclusion Gouqizi-Tusizi-angelica in the treatment of RP has the characteristics of multi-component, multi-target and multi-pathway, which could provide an idea for further research of RP treatment.

相似文献/References:

[1]李广雷,杨薇,林青华,等.枸杞子的提取工艺研究[J].西部中医药,2015,28(08):18.

备注/Memo

备注/Memo:
中国中医科学院眼科医院高水平中医医院课题（GSP3-09，GSP5-32）。刘新宇（1999—），男，在读博士研究生。研究方向：中医药防治眼病的基础研究。
更新日期/Last Update: 2025-12-15