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医学临床研究  2024, Vol. 41 Issue (9): 1297-1300    DOI: 10.3969/j.issn.1671-7171.2024.09.005
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桃红四物汤治疗肾虚血瘀型绝经后骨质疏松症的基于网络药理学和分子对接技术的作用机制*
蔡伟良1, 蔡安烈2**
1.中南大学湘雅二医院骨科,湖南 长沙 410011;
2.中南大学湘雅医学院附属株洲医院,湖南 株洲 412000
Mechanism of Taohong Siwu Decoction in Treating Postmenopausal Osteoporosis of Kidney Deficiency and Blood Stasis Based on Network Pharmacology and Molecular Docking Technology
CAI Weiliang, CAI Anlie
Department of Orthopaedic, The Second Xiangya Hospital of Central South University, Changsha Hunan 410011
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摘要 【目的】探讨桃红四物汤治疗肾虚血瘀型绝经后骨质疏松症(PMOP)的基于网络药理学和分子对接技术的作用机制。【方法】通过中药系统药理学数据库与分析平台(TCMSP)数据库的筛选,获取桃红四物汤的活性成分及其潜在靶点,进一步结合多个数据库的靶点挖掘结果,确定其治疗的核心靶点,构建了PPI网络分析靶点间的复杂关系。采用R4.1.2进行京都基因与基因组百科全书(KEGG)富集分析和基因本体(GO)功能分析,采用关键活性成分与核心靶点对接。【结果】桃红四物汤中有效成分285种,可以通过高级糖基化终末产物-受体通路(AGE-RAGE signaling pathway)、TNF通路(TNF signaling pathway)、低氧诱导因子受体通路(HIF-1 signaling pathway)等多种受体通路治疗。分子对接分析结果显示:木犀草素与白介素6(IL-6)、槲皮素与Runt相关转录因子2(RUNX2)大分子蛋白有良好的结合性。【结论】桃红四物汤治疗肾虚血瘀型PMOP的疗效涉及多个关键的活性成分、作用靶点和核心信号通路,为治疗肾虚血瘀型PMOP的作用机制提供了新的视角和思路。
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蔡伟良
蔡安烈
关键词 骨质疏松,绝经后/中医药疗法肾虚血瘀/中医药疗法桃红四物汤/药理学    
Abstract:【Objective】To investigate the mechanism of Taohong Siwu decoction in the treatment of postmenopausal osteoporosis (PMOP) based on network pharmacology and molecular docking technology. 【Methods】The active ingredients and potential targets of Taohong Siwu decoction were obtained through the screening of Traditional Chinese Medicine (TCM) System Pharmacology database and its analysis llatform (TCMSP) database. The core targets of its treatment were determined by combining the target mining results of multiple databases. And the complex relationship among targets was constructed by PPI network analysis. Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis and gene ontology (GO) function analysis were performed using R4.1.2; Then key active ingredients were docked with core targets.【Results】 There were 285 active components in Taohong Siwu decoction. The advanced glycosylated end-product-receptor Pathway (AGE-RAGE signaling pathway), TNF signaling pathway and hypoxic-inducible factor receptor pathway (HIF-1 signaling pathway) were involved in Taohong Siwu decoction therapy. Molecular docking analysis showed that luteolin was well bound to interleukin-6 (IL-6), while quercetin had good binding properties with RUNt-associated transcription factor 2 (RUNX2) macromolecular proteins.【Conclusion】The therapeutic effect of Taohong Siwu decoction on PMOP with kidney deficiency and blood stasis involves several key active ingredients, multiple action targets and core signaling pathways. It provides a new perspective and idea for the mechanism of treating PMOP with kidney deficiency and blood stasis.
Key wordsOsteoporosis, Postmenopausal/ZY    Kidney Deficiency and Blood Stagnation/ZY    Taohong Siwu Decoction/PD
收稿日期: 2024-06-24     
中图分类号:  R687.3  
基金资助:* 湖南省卫生健康委科研计划项目(B202304077123)
通讯作者: ** E-mail:anlie_cai@163.com   
引用本文:   
蔡伟良, 蔡安烈. 桃红四物汤治疗肾虚血瘀型绝经后骨质疏松症的基于网络药理学和分子对接技术的作用机制*[J]. 医学临床研究, 2024, 41(9): 1297-1300.
CAI Weiliang, CAI Anlie. Mechanism of Taohong Siwu Decoction in Treating Postmenopausal Osteoporosis of Kidney Deficiency and Blood Stasis Based on Network Pharmacology and Molecular Docking Technology. JOURNAL OF CLINICAL RESEARCH, 2024, 41(9): 1297-1300.
链接本文:  
http://journal07.magtech.org.cn/yxlcyj/CN/10.3969/j.issn.1671-7171.2024.09.005     或     http://journal07.magtech.org.cn/yxlcyj/CN/Y2024/V41/I9/1297
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