摘要
目的:利用网络药理学和分子对接探讨宣阳温通汤治疗肾阳亏虚型良性前列腺增生(BPH)的作用机制。方法:通过TCMSP数据库获取并筛选宣阳温通汤治疗肾阳亏虚型BPH的潜在靶点及活性成分;利用DrugBank、PharmGkb、GeneCard数据库挖掘疾病相关靶点,与宣阳温通汤的潜在靶点取交集,获得其治疗肾阳亏虚型BPH的核心靶点,构建蛋白质-蛋白质相互作用(PPI)网络构建及R分析,对核心靶点进行基因本体(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析;将主要活性成分与核心靶点进行分子对接。结果:有115种有效成分作用于肾阳亏虚型BPH,核心靶点共8个,涉及调控信号转导、氧化应激、细胞凋亡等多条信号通路;分子对接结果显示,槲皮素与抑癌基因(TP53)及山柰酚与B细胞淋巴瘤2(BCL2)大分子蛋白有较好的结合性。结论:宣阳温通汤能够多靶点、多通路治疗肾阳亏虚型BPH,为后续的研究提供了理论依据和参考。
Objective:To investigate the mechanism of action of Xuanyang Wentong decoction in the treatment of benign prostatic hyperplasia(BPH)with kidney-Yang deficiency based on network pharmacology and molecular docking.Methods:TCMSP database was used to identify the potential targets and active components of Xuanyang Wentong decoction in the treatment of BPH with kidney-Yang deficiency,and DrugBank,PharmGkb,and GeneCard databases were used to obtain the targets associated with the disease,which were intersected with the potential targets of Xuanyang Wentong decoction to obtain its core targets in the treatment of BPH with kidney-Yang deficiency.A protein-protein interaction network was constructed and R analysis was performed.The gene ontology functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis were performed for the core targets.Molecular docking was performed between the main active components and the core targets.Results:A total of 115 effective constituents acted on BPH with kidney-Yang deficiency,and there were 8 core targets in total,involving multiple signaling pathways such as signaltransduction regulation,oxidative stress,and cell apoptosis.Molecular docking showed good binding activities between quercetin and TP53 and between kaempferol and BCL2.Conclusion:Xuanyang Wentong decoction exerts a therapeutic effect on BPH with kidney-Yang deficiency through multiple targets and pathways,which provides a theoretical basis for subsequent studies.
作者
叶正贤
蔡黎明
邓旭
YE Zhengxian;CAI Liming;DENG Xu(Hunan University of Chinese Medicine,Changsha 410208,Hunan,China;The Third Affiliated Hospital of Hunan University of Chinese Medicine,Zhuzhou 412000,Hunan,China)
出处
《湖南中医杂志》
2024年第4期177-183,共7页
Hunan Journal of Traditional Chinese Medicine
关键词
良性前列腺增生症
宣阳温通汤
网络药理学
分子对接
benign prostatic hyperplasia
Xuanyang Wentong decoction
network pharmacology
molecular docking
