摘要
目的:基于网络药理学和表面等离子体共振技术,探究巴戟天根(Morinda officinalis Radix,MOR)治疗骨质疏松症(osteoporosis,OP)的有效成分和靶点,以及可能的作用机制。方法:分别通过基于网络药理学的靶点预测、蛋白-蛋白相互作用网络、拓扑分析、基因富集分析、分子对接和表面等离子体共振技术验证等策略。结果:确定了MOR中具有抗OP活性的关键化学成分,如蒽醌类化合物、β-谷甾醇、邻苯二甲酸二丁酯和油酸。蛋白-蛋白相互作用网络显示核心化学成分通过雌激素信号通路、内分泌抵抗、焦点黏附信号通路作用的靶点,发挥抗OP作用。分子对接和表面等离子体共振结果表明,核心化学成分与关键靶点之间存在良好的亲和力。结论:MOR的核心成分即蒽醌类化合物可能通过多种信号通路,包括雌激素信号通路、内分泌抵抗、焦点黏附等调控SRC、EGFR、JUN、BCL2等靶点,从而发挥抗OP作用。
Objective:Based on the network pharmacology and surface plasmon resonance technology,the active ingredients and targets of Morinda officinalis Radix(MOR)in the treatment of osteoporosis(OP)were explored.Methods:To better understand the mechanisms and targets of MOR,an integrated analytical platform was built based on network pharmacology,including target prediction,protein-protein interaction network,topology analysis,gene enrichment analysis,molecular docking and surface plasmon resonance.Results:Using this platform,we identified key chemical constituents in MOR,such as anthraquinone compounds,beta-sitosterol,dibutyl phthalate,and oleic acid,that exhibit anti-OP activity.The protein-protein interaction network shows that the core chemical components exert anti-OP effects through the estrogen signaling pathway,endocrine resistance,and focal adhesion signaling pathway by acting on certain targets.The results of molecular docking and surface plasmon resonance indicate that there is a good affinity between the core chemical components and the key targets.Conclusion:the core components of MOR,namely anthraquinone-type compounds,may exert anti-OP effects by modulating essential target proteins such as SRC,EGFR,JUN,and BCL2 through various signaling pathways,including the estrogen signaling pathway,endocrine resistance,and focal adhesion.
作者
李亮
杨伟航
胥加昊
夏爽
季宏建
施凤超
LI Liang;YANG Weihang;XU Jiahao;XIA Shuang;JI Hongjian;SHI Fengchao(Department of Orthopedics,the Sixth Affiliated Hospital of Nantong University,Yancheng Third People's Hospital,Jiangsu 224001;Orthopedic Treatment Center,Tongling Municipal People's Hospital;School of Pharmacy,Jiangsu Medical College)
出处
《南通大学学报(医学版)》
2025年第5期448-455,共8页
Journal of Nantong University(Medical sciences)
基金
盐城市卫健委医学科研立项项目(YK2024157)。
关键词
骨质疏松症
巴戟天根
网络药理学
分子对接
表面等离子体共振
信号通路
osteoporosis
Morinda officinalis Radix
network pharmacology
molecular docking
surface plasmon resonance
signaling pathway
