目的 采用網(wǎng)絡藥理學和分子對接技術(shù)分析二味杜仲湯治療絕經(jīng)后骨質(zhì)疏松的作用機制。方法 通過檢索文獻獲取二味杜仲湯包含的活性成分，并通過Swiss Target Prediction平臺預測二味杜仲湯各成分作用的靶點；使用Drugbank、Genecards、OMIM、DisGeNET數(shù)據(jù)庫檢索絕經(jīng)后骨質(zhì)疏松相關靶點，將藥物作用的靶點與疾病靶點進行映射得到交集基因，使用STRING數(shù)據(jù)庫繪制蛋白相互作用（PPI）網(wǎng)絡獲取網(wǎng)絡中核心靶點，通過Metascape平臺進行基因本體（GO）和京都基因與基因組百科全書（KEGG）富集分析，使用Cytoscape3.8.2構(gòu)建“藥物成分–靶點–通路”網(wǎng)絡篩選核心成分，利用Vina軟件對核心靶點和核心成分進行分子對接。結(jié)果 共篩選到25種有效成分，主要為牛蒿素（vulgarin）、傘形花內(nèi)酯（7-hydroxycoumarin）、阿魏酸（ferulic acid）、異綠原酸（isochlorogenic acid C）、哈巴俄苷（harpagoside）等；藥物與疾病共有278個靶點，核心靶點有白蛋白（ALB）、腫瘤壞死因子-α（TNF-α）、絲氨酸/蘇氨酸激酶1（AKT1）、表皮生長因子受體（EGFR）、非受體酪氨酸激酶（SRC）等。二味杜仲湯涉及到的生物過程有細胞對肽的反應、細胞對激素刺激的反應、激素水平的調(diào)節(jié)、細胞對脂質(zhì)的反應，KEGG富集分析得到的通路主要有癌癥通路、磷脂酰肌醇3-激酶/蛋白激酶B（PI3K/Akt）信號通路、類固醇激素生物合成等。結(jié)論 二味杜仲湯可以通過vulgarin、7-hydroxycoumarin、ferulic acid等成分與ALB、TNF-α、AKT1、等靶點產(chǎn)生相互作用，調(diào)節(jié)PI3K/Akt信號通路、EGFR等通路實現(xiàn)治療絕經(jīng)后骨質(zhì)疏松的作用。

Objective To analyze the active components of Erwei Duzhong Decoction and its mechanism of action in treatment of postmenopausal osteoporosis based on network pharmacology and molecular docking technology. Methods The active ingredients contained in Erwei Duzhong Decoction were obtained by searching literature, and the targets of Erwei Duzhong Decoction were predicted by Swiss Target Prediction platform. Drugbank, Genecards, OMIM, and DisGeNET databases were used to search for postmenopausal osteoporosis-related targets. The target of drug action was mapped to the target of disease to obtain the intersection gene. The protein interaction network was mapped using STRING database to obtain the core target in the network. Metascape platform was used for enrichment analysis of gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomics (KEGG). A drug composition-target-pathway network was constructed using Cytoscape 3.8.2 to screen core components, and Vina software was used for molecular docking of core targets and core components. Results A total of 25 active components were selected, which mainly include vulgarin, 7-hydroxycoumarin, ferulic acid, isochlorogenic acid C, harpagoside, etc. There are 278 targets of drugs and diseases, and the core targets are albumin (ALB), tumor necrosis factor-α (TNF-α), Serine/threonine kinase 1 (AKT1), epidermal growth factor receptor (EGFR), and non-receptor tyrosine kinase (SRC). The biological processes involved in Erwei Eucommia Decoction include cell response to peptides, cell response to hormone stimulation, hormone levels. The main pathways obtained by KEGG enrichment analysis include cancer pathway, phosphatidylinositol 3-kinase signaling pathway, and steroid hormone biosynthesis. Conclusion Erwei Duzhong Decoction can interact with ALB, TNF-α, AKT1 and other targets by vulgarin, 7-hydroxycoumarin and ferulic acid, and adjust PI3K/Akt signaling pathway, EGFR and other pathways to treat postmenopausal osteoporosis.

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內(nèi)蒙古自治區(qū)自然科學基金項目（2020MS08109）；內(nèi)蒙古醫(yī)科大學善學人才項目（ZY0201022）；內(nèi)蒙古自治區(qū)衛(wèi)生健康科技計劃項目（202201196，202201209）