目的 基于網(wǎng)絡(luò)藥理學(xué)和分子對(duì)接技術(shù)探究脾積丸治療胰腺癌的潛在通路與物質(zhì)基礎(chǔ)。方法 以口服生物利用度（OB）≥30%與類藥性（DL）≥0.18為篩選條件，在中藥系統(tǒng)藥理學(xué)平臺(tái)（TCMSP）數(shù)據(jù)庫(kù)獲取脾積丸主要活性成分及關(guān)鍵靶點(diǎn)，利用GeneCards、OMIM、PharmGkb和TDD數(shù)據(jù)庫(kù)獲得胰腺癌主要靶點(diǎn)；繪制Venn圖，構(gòu)建主要成分–關(guān)鍵靶點(diǎn)網(wǎng)絡(luò)圖，繪制蛋白互作（PPI）網(wǎng)絡(luò)；進(jìn)行基因本體（GO）功能及京都基因與基因組百科全書(shū)（KEGG）通路富集分析，最后以分子對(duì)接來(lái)驗(yàn)證所得靶點(diǎn)。結(jié)果 篩選得到32個(gè)活性成分，預(yù)測(cè)獲得210個(gè)靶點(diǎn)，核心基因17個(gè)；脾積丸治療胰腺癌的活性成分是槲皮素、山柰酚、柚皮素、芒柄花黃素、川陳皮素。GO功能富集分析得到生物過(guò)程（BP）2 409個(gè)、細(xì)胞組成（CC）91個(gè)、分子功能（MF）14個(gè)；KEGG通路富集分析獲得179條通路。核心成分與主要核心靶點(diǎn)有一定的結(jié)合活性，其中槲皮素與HIF1A靶點(diǎn)對(duì)接活性最好。結(jié)論 脾積丸可通過(guò)多成分、多靶點(diǎn)和多通路發(fā)揮治療胰腺癌的作用，為后續(xù)探究脾積丸治療胰腺癌提供研究思路。

Objective To explore the potential pathway and material basis of Piji Pills in treatment of pancreatic cancer based on network pharmacology and molecular docking technology. Methods With OB ≥ 30% and DL ≥ 0.18 as screening conditions, the main active components and key targets of Piji Pills were obtained from TCMSP database, and the main targets of pancreatic cancer were obtained by GeneCards, OMIM, PharmGkb and TDD database. Venn diagram, key target network map and protein interaction network (PPI) were drawn. GO enrichment analysis and KEGG pathway enrichment analysis were carried out. Finally, molecular docking was used to verify the target. Results 32 Active components were screened, and 210 targets were predicted with 17 core genes. The active ingredient of Piji Pills in treatment of pancreatic cancer were quercetin, kaempferol, naringin, formononetin, anthocyanin, and tangerine. Furthermore, 2 409 BP terms, 91 CC terms and 14 MF terms were obtained with GO function enrichment analysis. Moreover, 179 relative pathways were obtained with KEGG pathway enrichment analysis. The core components had certain binding activity with the main core targets, among which quercetin had the best docking activity with HIF1A target. Conclusion Piji Pills plays a role in treatment of pancreatic cancer through multi-component, multi-target and multi-channel, which provides a research idea for follow-up study of Piji pills in treatment of pancreatic cancer.

R914

中國(guó)中醫(yī)科學(xué)院科技創(chuàng)新工程腫瘤學(xué)重大攻關(guān)項(xiàng)目(CI2021A01805);北京市科學(xué)技術(shù)委員會(huì)首都臨床診療技術(shù)研究及示范應(yīng)用專項(xiàng)(Z191100006619022)