实用中医内科杂志2025，Vol.39Issue(5)：16-19,后插4-后插8,9.DOI:10.13729/j.issn.1671-7813.Z24102803
基于网络药理学及分子对接探讨当归补血汤治疗卵巢早衰并发骨质疏松的作用机制
Exploring the Mechanisms of Danggui Buxue Decoction(当归补血汤)in Treating Premature Ovarian Failure Complicated by Osteoporosis Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective This study aims to explore the potential mechanisms of Danggui Buxue Decoction in the treatment of pre-mature ovarian failure(POF)combined with osteoporosis(OP)using network pharmacology and molecular docking techniques.Methods The main active components and their targets of Huangqi and Danggui in Danggui Buxue Decoction were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).Subsequently,relevant genes associated with premature ovarian failure(POF)and osteoporosis were retrieved from databases such as GeneCards and OMIM,identifying the intersection targets of the drug with these two diseases.A"disease-active ingredient-common target"and pro-tein-protein interaction(PPI)network was constructed using Cytoscape software.Additionally,R software was employed for Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrich-ment analysis of the target genes.Finally,molecular docking validation was performed using the CB-DOCK2 online platform.Re-sults A total of 20 active components from Danggui Buxue Decoction were identified,along with 159 intersection targets for the treatment of POF and osteoporosis.Core targets selected from the PPI analysis included ESR1,IL-6,TNF,and AKT.KEGG pathway enrichment analysis revealed significant involvement of the PI3K-AKT signaling pathway,TNF signaling pathway,and Th17 cell differentiation.Molecular docking demonstrated that TNF exhibited the highest affinity with isorhamnetin and quercetin,while ESR1 showed the best affinity with quercetin and kaempferol.Conclusion Danggui Buxue Decoction may exert its therapeu-tic effects on POF combined with OP by regulating inflammatory signaling pathways,including PI3K-AKT,IL-17,and TNF,through its main components,such as isoliquiritigenin,quercetin,and kaempferol.关键词
卵巢早衰/骨质疏松/当归补血汤/网络药理学/分子对接Key words
premature ovarian failure/osteoporosis/Danggui Buxue Decoction(当归补血汤)/network pharmacology/mo-lecular docking分类
医药卫生引用本文复制引用
黄垂巧,李倩,秦忠,陈云志..基于网络药理学及分子对接探讨当归补血汤治疗卵巢早衰并发骨质疏松的作用机制[J].实用中医内科杂志,2025,39(5):16-19,后插4-后插8,9.基金项目
国家自然科学基金资助项目(82260890) （82260890）
贵州省教育厅滚动支持省属高校科研平台团队项目(黔教技[2022]023号) （黔教技[2022]023号）
