目的 通過(guò)網(wǎng)絡(luò)藥理學(xué)預(yù)測(cè)四君子湯治療胃炎的主要活性成分和作用靶點(diǎn)，探討其多成分-多靶點(diǎn)-多通路的潛在作用機(jī)制。方法 通過(guò)中醫(yī)藥系統(tǒng)藥理學(xué)數(shù)據(jù)庫(kù)和分析平臺(tái)（TCMSP）數(shù)據(jù)庫(kù)收集四君子湯及其中4味中藥黨參、白術(shù)、茯苓、甘草的化學(xué)成分，經(jīng)口服吸收率（OB）、類藥性（DL）、半衰期（HL）3個(gè)條件篩選得到藥物的有效成分，通過(guò)SwissTargetPrediction數(shù)據(jù)庫(kù)進(jìn)行有效成分靶點(diǎn)預(yù)測(cè)；同時(shí)從TTD、Drugbank和DisGeNET數(shù)據(jù)庫(kù)對(duì)胃炎的靶點(diǎn)進(jìn)行檢索及篩選；成分靶點(diǎn)與疾病靶點(diǎn)映射后使用Cytoscape 3.2.1軟件構(gòu)建藥物有效成分-靶點(diǎn)蛋白相互作用網(wǎng)絡(luò)，使用String數(shù)據(jù)庫(kù)繪制靶點(diǎn)蛋白-靶點(diǎn)蛋白相互作用網(wǎng)絡(luò)；對(duì)靶點(diǎn)蛋白利用DAVID數(shù)據(jù)庫(kù)進(jìn)行GO分析和KEGG分析，構(gòu)建核心有效成分-核心靶點(diǎn)-代謝通路網(wǎng)絡(luò)圖。結(jié)果 從四君子湯中篩選出68個(gè)化學(xué)成分，涉及治療胃炎的10個(gè)靶點(diǎn)；GO分析結(jié)果表明其涉及單孢素代謝過(guò)程、雜環(huán)代謝過(guò)程、藥物代謝過(guò)程、藥物分解過(guò)程、類固醇代謝過(guò)程等9個(gè)生物過(guò)程，涉及氧結(jié)合、單加氧酶活性、氧化還原酶活性等10個(gè)分子功能，包括細(xì)胞器膜、內(nèi)質(zhì)網(wǎng)膜等6個(gè)細(xì)胞組成；KEGG分析結(jié)果表明其可能通過(guò)藥物代謝-細(xì)胞色素P450、亞油酸代謝、細(xì)胞色素P 450對(duì)外源性物質(zhì)代謝的影響、神經(jīng)活性配體與受體的相互作用、化學(xué)致癌、類固醇激素生物合成、視黃醇代謝7個(gè)信號(hào)通路治療胃炎。結(jié)論 四君子湯通過(guò)多靶點(diǎn)、多通路治療胃炎，為今后分子機(jī)制的研究奠定一定的基礎(chǔ)。

Objective To predict the main active ingredients and target of the treatment of gastritis by the network pharmacology, and to explore the potential mechanism of multi-component, multi-target and multi-pathway. Methods Through the database of pharmacology database and analysis platform(TCMSP) of Chinese medicine system, the chemical constituents of the four gentlemen soup and the 4 traditional Chinese medicine codonopsis, alfalfa, poria, and licorice were collected. The active ingredients of the drug were screened by three conditions:oral absorption rate(OB), drug-like properties(DL), and Half-Life(HL), and the target targets of the active components were predicted through the SwissTargetPrediction database; At the same time, the target points of gastritis are retrieved and screened from the TTD, Dragbank and DisGeNET databases; After mapping the component target with the disease target point, Cytoscape 3.2.1 software is used to construct the drug active component-target protein interaction network, and at the same time, the String database is used to draw the target protein-target protein interaction network; The target protein was analyzed by GO and KEGG using DAVID database, and the network map of core active ingredient-core target-metabolic pathway was constructed. Results 68 chemical components were selected from the four gentlemen's soup, which involved 10 targets for the treatment of gastritis. GO analysis shows that it involves 9 biological processes such as monosporin metabolism process, heterocyclic metabolism process, drug metabolism process, drug decomposition process, steroid metabolism process, and 17 molecular functions such as oxygen binding, monooxygenase activity, and redoreductase activity., Including cell membrane, endoplasmic omentum and other 6 cells; The results of KEGG analysis show that it may be treated by drug metabolism-cytochrome P450, linoleic acid metabolism, cytochrome P450 exogenous substance metabolism, neuroactive ligand interaction with receptors, chemical carcinogenicity, steroid hormone biosynthesis, retinol metabolism 7 signal pathways Gastritis. Conclusion This study shows that Sijun Decoction can treat gastritis through multiple targets and multiple pathways to lay a certain foundation for the study of molecular mechanisms in the future.

R285.5

山西省基礎(chǔ)研究項(xiàng)目（2013011048-6）；山西中醫(yī)藥大學(xué)重點(diǎn)培育項(xiàng)目（2019PY-117）