目的 通過(guò)構(gòu)建升麻Cimicifugae Rhizoma化學(xué)成分-靶點(diǎn)-代謝信號(hào)通路網(wǎng)絡(luò)，探討其治療乳腺癌的作用機(jī)制。方法 利用中藥系統(tǒng)藥理學(xué)數(shù)據(jù)庫(kù)與分析平臺(tái)（TCMSP）和PharmMapper獲取升麻化學(xué)成分與作用靶點(diǎn)，將其與乳腺癌疾病靶點(diǎn)取交集得到升麻治療乳腺癌的作用靶點(diǎn)，進(jìn)一步利用靶點(diǎn)-成分反向篩選得到治療乳腺癌的升麻潛在活性成分；通過(guò)GeneMANIA數(shù)據(jù)庫(kù)獲取間接靶標(biāo)和“蛋白-靶點(diǎn)”互作網(wǎng)絡(luò)，并通過(guò)蛋白-蛋白相互作用篩選關(guān)鍵靶標(biāo)；采用Cytoscape構(gòu)建“成分-靶點(diǎn)”網(wǎng)絡(luò)圖，使用分子對(duì)接將潛在活性成分和關(guān)鍵靶標(biāo)配對(duì)，以證實(shí)前期靶標(biāo)篩選和反向藥效團(tuán)匹配的可靠性；通過(guò)DAVID網(wǎng)站對(duì)作用靶點(diǎn)進(jìn)行基因本體論（GO）分析和京都基因與基因組百科全書（KEGG）分析，利用R語(yǔ)言和在線繪圖網(wǎng)站（omishare tools）將結(jié)果可視化。結(jié)果 獲得升麻潛在活性成分共68個(gè)，與乳腺癌相關(guān)疾病靶點(diǎn)48個(gè)，關(guān)鍵靶點(diǎn)為ESR1、SRC和HRAS。GO功能富集分析得到生物過(guò)程（BP）條目484條，細(xì)胞組成（CC）條目7條，分子功能（MF）條目75條。KEGG通路富集篩選獲得到21條信號(hào)通路。分子對(duì)接結(jié)果顯示關(guān)鍵靶標(biāo)與升麻潛在活性成分匹配性較好。結(jié)論 升麻主要通過(guò)作用于ESR1、SRC、HRAS等靶點(diǎn)，調(diào)節(jié)癌癥通路、蛋白多糖通路和雌激素信號(hào)通路等起到治療乳腺癌的作用。

Objective To establish a chemical constituents-disease target-metabolic signaling pathway network of Cimicifugae Rhizoma for understanding its mechanism on anti-breast cancer. Methods TCMSP database and PharmMapper were used to obtain the chemical components and action targets of Cimicifugae Rhizoma. The therapeutic targets of anti-breast cancer were obtained by intersecting these targets above with those of breast cancer disease. Then, the reverse screening was executed for the potential active components of Cimicifugae Rhizoma. Indirect targets and protein-targets interaction networks were acquired through the GeneMANIA database, and key targets were screened through protein-protein interaction. Cytoscape was used to construct the "medicinal materia-ingredient-target" network diagram, and molecular docking was used to pair up potential active components with key targets, which confirmed the credibility of early target screening and reverse pharmacophore matching methods. Targets were imported into DAVID database for GO function enrichment analysis and KEGG pathway analysis, the results were visualized using R language and Omishare Tools. Results Tatolly 68 potential active ingredients of Cimicifugae Rhizoma and 48 breast cancerrelated disease targets were obtained, the key targets were ESR1, SRC, and HRAS. A total of 75 GO items were obtained by GO functional enrichment analysis, including 484 biological processes (BP), and seven cell component (CC) items. KEGG enrichment analysis yielded 21 pathways. The result of molecular docking suggested that key targets paired well with the potential active components of Cimicifugae Rhizoma. Conclusion Cimicifugae Rhizoma carried out its therapeutic means in breast cancer treatment mainly through its behaviors of acting on targets such as ESR1, SRC, HRAS, etc, and regulating pathways in cancer, proteoglycans in cancer, and estrogen signaling pathway.

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中國(guó)博士后科學(xué)基金面上項(xiàng)目（2018M633721）；遼寧省科技特派行動(dòng)專項(xiàng)計(jì)劃（2020JH5/10400129）；遼寧省中藥資源普查項(xiàng)目（2019020）