基于网络药理学、分子对接及实验探究Aplidine治疗骨质疏松症的分子机制  

Exploring the Molecular Mechanism of Aplidine in the Treatment of Osteoporosis Based on Network Pharmacology,Molecular Docking,and Experimental Research

作　　者：廖金登 黎秋飞 廖亮[1] Jindeng Liao;Qiufei Li;Liang Liao(First Affiliated Hospital of Guangxi Medical University,Department of Orthopedics and Hand Surgery,Nanning,Guangxi 530021;Guangxi Medical University,Institute of Life Sciences,Collaborative Innovation Center for Regenerative Medicine and Medical Biological Resource Development and Application,jointly established by the province and the ministry,Nanning,Guangxi 530021)

机构地区：[1]广西医科大学第一附属医院,创伤骨科手外科,广西南宁530021 [2]广西医科大学,生命科学研究院,再生医学与医用生物资源开发应用省部共建协同创新中心,广西南宁530021

出　　处：《医学研究前沿》2025年第1期55-57,共3页Frontiers of Medical Research

摘　　要：目的探讨Aplidine治疗骨质疏松症的分子机制。方法首先,利用PharmMapper和TargetNet数据库筛选Aplidine的潜在靶点,采用GeneCard、CTD及OMIM数据库获取骨质疏松症靶点信息。通过多源数据融合策略筛选药物-疾病交集靶点,构建蛋白互作网络并进行GO和KEGG富集分析。运用cytoHubba插件的多算法融合策略筛选核心治疗靶点,并采用分子对接技术验证关键靶点与活性成分的结合特性。通过体外细胞实验进一步验证Aplidine在治疗骨质疏松症中的效果。结果网络药理学分析鉴定了包括PPARG和SRC在内的9个Aplidine治疗骨质疏松症的关键靶点,涉及69个生物学过程、12个细胞组分、35个分子功能及97条信号通路。体外实验结果表明,Aplidine能够有效抑制RABKL诱导的破骨细胞分化。结论Aplidine通过抑制破骨细胞的分化发挥治疗作用,其分子机制可能与调控雌激素信号通路、脂质代谢及动脉粥样硬化等关键路径,靶向PPARG和SRC等靶点密切相关。Objective To explore the molecular mechanism of Aplidine in the treatment of osteoporosis.Method Firstly,potential targets of Aplidine were screened using PharmMapper and Target Net databases,and osteoporosis target information was obtained using GeneCard,CTD,and OMIM databases.Screening drug disease intersection targets through multi-source data fusion strategy,constructing protein interaction network,and conducting GO and KEGG enrichment analysis.Using the multi algorithm fusion strategy of cytoHubba plugin to screen core therapeutic targets,and verifying the binding characteristics between key targets and active ingredients through molecular docking technology.Further validate the efficacy of Aplidine in the treatment of osteoporosis through in vitro cell experiments.Result Network pharmacology analysis identified 9 key targets of Aplidine for treating osteoporosis,including PPARG and SRC,involving 69 biological processes,12 cellular components,35 molecular functions,and 97 signaling pathways.The in vitro experimental results showed that Aplidine can effectively inhibit RABKL induced osteoclast differentiation.Conclusion Aplidine plays a therapeutic role by inhibiting the differentiation of osteoclasts.Its molecular mechanism may be closely related to the regulation of estrogen signaling pathway,lipid metabolism,atherosclerosis and other key pathways,targeting PPARG,SRC and other targets.

关 键 词：网络药理学 实验探究 Aplidine治疗骨质疏松症 

分 类 号：R743.33[医药卫生—神经病学与精神病学]