目的 通過網(wǎng)絡(luò)藥理學(xué)和分子對接方法探討"半枝蓮-山慈菇"抗乳腺癌的作用機(jī)制。方法 通過中藥系統(tǒng)藥理學(xué)分析平臺（TCMSP）篩選半枝蓮、山慈菇的有效化學(xué)成分及相應(yīng)靶蛋白。通過DrugBank、Uniprot數(shù)據(jù)庫篩選乳腺癌潛在靶點(diǎn)，運(yùn)用Cytoscape 3.8.0軟件構(gòu)建"化合物-靶點(diǎn)-疾病"網(wǎng)絡(luò)圖。使用STRING數(shù)據(jù)庫繪制蛋白互作（PPI）網(wǎng)絡(luò)，利用DAVID數(shù)據(jù)庫對有效作用靶點(diǎn)進(jìn)行GO功能、KEGG通路富集分析。結(jié)果 共篩選出半枝蓮中有效化學(xué)成分29個，山慈菇中有效化學(xué)成分3個；對應(yīng)潛在作用靶點(diǎn)517個，乳腺癌靶點(diǎn)118個；將"半枝蓮-山慈菇"與乳腺癌的靶點(diǎn)對比，獲得8個藥物-疾病共同靶點(diǎn)，包括雄激素受體（AR）、半胱氨酸天冬氨酸蛋白酶-3（CASP3）、半胱氨酸天冬氨酸蛋白酶-9（CASP9）、雌激素受體α（ESR1）、雌激素受體β（ESR2）、鉀電壓門控通道亞家族H成員2（KCNH2）、前列腺素G/H合酶2（PTGS2）和鈉依賴性血清素轉(zhuǎn)運(yùn)體（SLC6A4）。GO功能分析得到197個條目，涉及藥物代謝等方面。KEGG通路分析得到116個條目，涉及膀胱癌、非小細(xì)胞肺癌、胰腺癌、非洲錐蟲病、前列腺癌、結(jié)直腸癌、子宮內(nèi)膜癌等通路。結(jié)論 研究揭示了"半枝蓮-山慈菇"抗乳腺癌的關(guān)鍵靶點(diǎn)和涉及的生物學(xué)過程及信號通路，并結(jié)合分子對接技術(shù)，發(fā)現(xiàn)其作用是多靶點(diǎn)、多通路的，為今后的分子生物學(xué)實(shí)驗(yàn)奠定了基礎(chǔ)。

Objective To investigate the mechanism of "Scutellaria barbata and Iphigenia indica" against breast cancer by network pharmacology and molecular docking methods. Methods The effective chemical constituents and corresponding target proteins of Scutellaria barbata and Iphigenia indica were screened by TCMSP. The potential targets of breast cancer were screened by DrugBank and Uniprot databases, and the network diagram of "compound-target-disease" was constructed using Cytoscape 3.8.0 software. The protein interaction (PPI) network was mapped using the STRING database, and GO function and KEGG pathway enrichment analysis of effective targets were performed using the DAVID database. Results A total of 29 effective chemical components in Scutellaria barbata, 3 effective chemical components in Iphigenia indica, 517 potential targets corresponding to the above chemical components, and 118 breast cancer targets were selected. Eight drug-disease common targets were obtained by comparing "Scutellaria barbata and Iphigenia indica" with the targets of breast cancer, including AR, CASP3, CASP9, ESR1, ESR2, KCNH2, PTGS2, and SLC6A4. GO functional analysis resulted in 197 entries, involving aspects such as drug metabolism. KEGG pathway analysis yielded 116 items, involving bladder cancer, non-small cell lung cancer, pancreatic cancer, African trypanosomiasis, prostate cancer, colorectal cancer, endometrial cancer and other pathways. Conclusions Study preliminarily revealed the key targets and biological processes and signaling pathways involved in anti-breast cancer effect of "Scutellaria barbata and Iphigenia indica", and combined with molecular docking technology, found that its role is multi-target and multi-pathway, laying foundation for future molecular biology experiments.

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西北民族大學(xué)2021年中央高校本科生科研能力訓(xùn)練項(xiàng)目（XBMU21029）