基于网络药理学和分子对接探讨桃仁-红花药对治疗颈椎病的潜在机制  

Exploration of the Potential Mechanism of Persicae Semen-Carthami Flos Medicine Pair in the Treatment of Cervical Spondylosis Based on Network Pharmacology and Molecular Docking

作　　者：王礼福 杨利 张博宇 Wang Lifu;Yang Li;Zhang Boyu(Department of Traditional Chinese Medicine,Chishui People's Hospital,Chishui,Guizhou 564700,China;Department of Psychiatry,Chishui Traditional Chinese Medicine Hospital,Chishui,Guizhou 564700,China;Department of Rehabilitation,Jiangbei District Traditional Chinese Medicine Hospital,Chongqing 400000,China)

机构地区：[1]赤水市人民医院中医科,贵州赤水564700 [2]赤水市中医医院精神科,贵州赤水564700 [3]重庆市江北区中医医院康复科,重庆400000

出　　处：《大理大学学报》2025年第2期15-19,共5页Journal of Dali University

基　　金：重庆市卫生健康委员会医学科研基金项目(2024WSJK119)。

摘　　要：目的:探讨桃仁-红花药对治疗颈椎病的潜在作用机制。方法:通过TCMSP、PubChem等数据库筛选桃仁-红花的活性成分,使用Swiss Target Prediction数据库筛选药物成分作用靶点。通过OMIM、DrugBank和DisGeNET数据库获取颈椎病相关靶点,利用Venny软件筛选“药物-疾病”共同靶点,构建“药物-活性成分-靶点-疾病”网络及蛋白质相互作用网络,筛选核心成分与核心靶点。借助Metascape平台对核心靶点进行GO功能与KEGG通路富集分析,并对部分核心成分与核心靶点进行分子对接验证。结果:筛选得到28个活性成分、499个药物靶点、5093个疾病靶点,获得312个“药物-疾病”共同靶点。GO功能富集分析结果显示,桃仁-红花药对主要调控外源性刺激反应、激酶活性等发挥治疗作用,KEGG通路富集分析表明,桃仁-红花药对通过调控PI3K-Akt信号通路、脂质和动脉粥样硬化等来改善颈椎病相关症状。分子对接结果显示,木质素、木樨草素、槲皮素与TP53、SRC、PIK3CA结合能良好。结论:桃仁-红花药对通过多成分、多靶点、多通路机制有效改善颈椎病症状,PI3KAkt等信号通路可能是其主要作用途径,为后续实验研究提供了理论依据。Objective:To explore the potential mechanism of persicae semen-carthami flos medicine pair in the treatment of cervical spondylosis.Methods:Active components of persicae semen-carthami flos were screened by databases such as TCMSP and PubChem,and the targets of these components were identified using the Swiss Target Prediction database.Targets related to cervical spondylosis were obtained from OMIM,DrugBank,and DisGeNET databases.Common targets of"the herb pair and the disease"were selected using Venny software to construct a"drug-active ingredient-target-disease"network and a protein-protein interaction network,thereby identifying core components and core targets.The Metascape platform was used for GO function and KEGG pathway enrichment analysis of the core targets,and molecular docking validation was performed for some core components and core targets.Results:A total of 28 active components,499 drug targets,and 5093 disease targets were screened,yielding 312 common targets of"the herb pair and the disease".GO function enrichment analysis revealed that persicae semen-carthami flos drug pair primarily regulates responses to external stimuli and kinase activity to exert therapeutic effects.KEGG pathway enrichment analysis indicated that the herb pair improves symptoms of cervical spondylosis by regulating pathways such as the PI3K-Akt signaling pathway,lipids,and atherosclerosis.Molecular docking results showed good binding energies between lignin,luteolin,quercetin,and TP53,SRC,PIK3CA.Conclusion:The persicae semen-carthami flos medicine pair effectively improves symptoms of cervical spondylosis through a multi-component,multi-target,and multi-pathway mechanism.Signaling pathways such as PI3K-Akt may be the main route of action,providing a theoretical basis for subsequent experimental research.

关 键 词：颈椎病 桃仁-红花 网络药理学 分子对接 作用机制 

分 类 号：R285.5[医药卫生—中药学]