目的 采用網(wǎng)絡(luò)藥理學(xué)和分子對(duì)接方法探究五靈膠囊治療慢性乙型肝炎的機(jī)制。方法 綜合TCMSP、ETCM、BATMA-TCM數(shù)據(jù)庫(kù)篩選五靈膠囊的成分和靶點(diǎn)。采用GeneCards、NCBI、DisGeNET數(shù)據(jù)庫(kù)收集慢性乙型肝炎的靶點(diǎn)。運(yùn)用STRING數(shù)據(jù)庫(kù)構(gòu)建五靈膠囊治療慢性乙型肝炎的蛋白相互作用（PPI）網(wǎng)絡(luò)圖，并采用Cytoscape軟件構(gòu)建活性成分-交集靶點(diǎn)網(wǎng)絡(luò)圖。采用Oebiotech平臺(tái)進(jìn)行基因本體（GO）、京都基因與基因組百科全書(shū)（KEGG）富集分析。采用分子對(duì)接技術(shù)對(duì)五靈膠囊治療慢性乙型肝炎的關(guān)鍵成分和核心靶點(diǎn)的結(jié)合進(jìn)行驗(yàn)證。結(jié)果 共篩選出異鼠李素、山柰酚、槲皮素、黃芩苷、靈芝酸R、靈芝醇F、赤芝酮A、丹參酮Ⅱ_A、異丹參酮Ⅱ、木犀草素、戈米辛R等主要活性成分。共得到雌激素受體（ESR1）、過(guò)氧化物酶體增殖激活受體（PPARG）、人絲裂原激活蛋白激酶14（MAPK14）、一氧化氮合酶（NOS2）等29個(gè)五靈膠囊治療慢性乙型肝炎的靶點(diǎn)。五靈膠囊治療慢性乙型肝炎的主要途徑有乙型肝炎、白細(xì)胞介素-17（IL-17）和腫瘤壞死因子（TNF）通路。分子對(duì)接結(jié)果顯示，上述活性成分與其對(duì)應(yīng)的慢性乙型肝炎靶標(biāo)間均有較高的親和力。結(jié)論 五靈膠囊可能通過(guò)異鼠李素、山柰酚、槲皮素等活性成分及ESR1、白細(xì)胞介素-1β（IL-1β）、基質(zhì)金屬蛋白酶-9（MMP-9）等核心靶點(diǎn)治療慢性乙型肝炎。

Objective To explore the mechanism of Wuling Capsules in treatment of chronic hepatitis B by network pharmacology and molecular docking methods. Methods To screen the components and targets of Wuling Capsules by TCMSP, ETCM, and BATMA-TCM database, and collect the targets of chronic hepatitis B by GeneCards, NCBI, and DisGeNET databases. The protein interaction (PPI) network diagram of Wuling Capsules in treatment of chronic hepatitis B was constructed by using STRING database, and the active ingredient-intersection target network diagram was constructed by Cytoscape software. Oebiotech platform was used for GO and KEGG enrichment analysis. Molecular docking technology was used to verify the combination of key components and core targets of Wuling Capsules in treatment of chronic hepatitis B. Results Isorhamnetin, kaempferol, quercetin, baicalin, ganodermic acid R, Ganoderiol F, lucidone A, tanshinone Ⅱ_A, isotanshinone Ⅱ, luteolin, gomisin R in Wuling Capsules were selected. A total of 29 targets including ESR1, PPARG, MAPK14, NOS2 were obtained for the treatment of chronic hepatitis B. The main therapeutic pathways of Wuling Capsules for chronic hepatitis B include hepatitis B, IL-17, and TNF pathways. Molecular docking results showed that the active ingredients had high affinity with their corresponding chronic hepatitis B targets. Conclusion Wuling Capsules may treat chronic hepatitis B through active ingredients such as isorhamnetin, kaempferol, quercetin, and core targets such as ESR1, IL-1β, MMP-9.

R96

新疆維吾爾自治區(qū)醫(yī)院管理研究所項(xiàng)目（ZZQYYGLYJS-202103B）