目的 運用網(wǎng)絡藥理學方法研究半夏瀉心湯治療慢性萎縮性胃炎（CAG）的作用機制。方法 運用中藥系統(tǒng)藥理學數(shù)據(jù)庫和分析平臺（TCMSP）獲取半夏瀉心湯化合物及靶標，以口服生物利用度（OB）≥30%和類藥性（DL）≥0.18為閾值進行化合物篩選，將靶標輸入Uniprot獲取靶標對應的基因Symbol；從人類基因數(shù)據(jù)庫（Gene Card：The Human GeneDatabase）獲取CAG疾病基因，并篩選出與半夏瀉心湯靶標基因的交集基因；運用Cytoscape3.7.1軟件繪制“疾病-中藥-化合物-交集靶標（基因）”網(wǎng)絡圖、STRING構(gòu)建蛋白互作（PPI）網(wǎng)絡、利用分子對接技術(shù)對關(guān)鍵靶點和化合物的相互作用進行驗證。G：Profiler數(shù)據(jù)分析平臺進行GO富集以及KEGG通路富集分析。結(jié)果 通過設置OB和DL值篩選得到半夏瀉心湯化合物189種，在獲得交集基因80個后，剔除不含交集基因（靶標）的化學成分后，最終篩得化合物148種，GO富集分析后共獲得符合篩選標準的條目1 188條，其中分子功能59條、生物過程1 086條、細胞組成43條，KEGG富集分析共獲得97條。槲皮素、黃芩素、漢黃芩素、小檗堿等為半夏瀉心湯的主要活性成分，STAT3、TNF、AKT1、HSP90AA1、TP53等為主要作用靶標。分子對接結(jié)果顯示，篩選的化合物和核心靶點HSP90AA1、潛在靶點EGFR之間均能較好的結(jié)合，涉及氮化合物的代謝、氧化反應、細胞凋亡等生物過程，調(diào)控PI3K-Akt信號通路、IL-17信號通路、胃癌通路、幽門螺旋桿菌感染的上皮細胞通路。結(jié)論 半夏瀉心湯的主要活性成分有槲皮素、黃芩素、漢黃芩素、小檗堿，通過多靶點多通路發(fā)揮治療慢性萎縮性胃炎作用。

Objective To study on the mechanism of Banxia-Xiexin Decoction in the treatment of chronic atrophic gastritis on network pharmacology. Methods The compound and target of Banxia-Xiexin decoction were obtained by Traditional Chinese Medicine Systems Pharmacology(TCMSP) analysis platform database. The compound was screened by oral bioavailability (OB) ≥ 30% and drug-like property (DL) ≥ 0.18 as thresholds, and The target was input into Uniprot to obtain the gene Symbol;The disease target genes of chronic atrophic gastritis were obtained from Gene Card:The Human Gene Database, and screening intersection genes with Banxia-Xiexin decoction target genes; The network diagram of "disease-traditional Chinese medicine-compoundintersection target (gene)" was drawed by Cytoscape 3.7.1 software. The protein-protein interaction relationships were constructed by STRING database. Molecular docking technology were used to verify the interactions between core targets and compounds.GO enrichment and KEGG pathway enrichment were analyzed by g:Profiler data analysis platform. Results 189 compounds of BanxiaXiexin Decoction were screened by setting OB and DL values. After obtaintion of 80 intersection genes, 148 compounds were finally screened by eliminating chemical components without intersection genes (targets). A total of 1 188 items were screened through the GO enrichment analysis, including 59 molecular functions, 1086 biological processes, 43 cellular components. And 97 items were obtained by KEGG enrichment analysis. Quercetin,baicalein,wogonin and berberine are the main active components of Banxia Xiexin decoction.STAT3,TNF,AKT1,HSP90AA1,TP53 are the main targets.The results of molecular docking showed that the screened compounds could bind well with the core target HSP90AA1 and the potential target EGFR. The nitrogen metabolism, oxidation reaction,cell apoptosis and other biological processes are biological processes involved.PI3K-Akt signal pathway,IL-17 signal pathway, gastric cancer pathway, epithelial cell signaling in helicobacter pylori infection pathway are main regulation pathways. Conclusions This study provide certain reference for further study on the mechanism of Banxia-Xiexin decoction in treating CAG.

R285.5

2020年廣東省科技創(chuàng)新戰(zhàn)略專項資金立項項目（pdjh2020b0140）；廣東省中醫(yī)藥局建設中醫(yī)藥強省專項資金中醫(yī)優(yōu)勢病種突破項目（粵中醫(yī)函［2015］19號）；廣東省自然科學基金項目（2017A030310121）；廣州中醫(yī)藥大學學科研究重大項目（A1-2606-19-110-007）；中醫(yī)藥行業(yè)科研專項項目（201507001-09）；廣州中醫(yī)藥大學第一附屬醫(yī)院“創(chuàng)新強院”創(chuàng)新科研團隊項目（2017TD05）；廣州中醫(yī)藥大學一流學科研究重點項目（A1-AFD018191A16）；廣州中醫(yī)藥大學第一附屬醫(yī)院“創(chuàng)新強院”青年科研人才培優(yōu)項目（2015QN09）