目的 通過網(wǎng)絡(luò)藥理學(xué)和分子對接技術(shù)探討腎炎四味片治療慢性腎炎的活性成分和作用機(jī)制。方法 采用TCMSP、ETCM、GeneCards等數(shù)據(jù)庫收集腎炎四味片的活性成分和靶點(diǎn)以及慢性腎炎靶點(diǎn)。隨后，采用Cytoscape軟件和STRING數(shù)據(jù)庫分別繪制腎炎四味片治療慢性腎炎成分–靶點(diǎn)網(wǎng)絡(luò)圖和交集靶點(diǎn)的蛋白質(zhì)相互作用網(wǎng)絡(luò)。運(yùn)用歐易云平臺對交集靶點(diǎn)進(jìn)行基因本體（GO）和京都基因與基因組百科全書（KEGG）富集分析。此外，采用分子對接技術(shù)驗(yàn)證腎炎四味片治療慢性腎炎的核心成分和主要靶點(diǎn)的結(jié)合強(qiáng)度。結(jié)果 腎炎四味片治療慢性腎炎的活性成分有128種，槲皮素、芹菜素、漢黃芩素、山柰酚、黃芩素和毛蕊異黃酮等為治療慢性腎炎的主要活性成分。篩選得到腎炎四味片治療慢性腎炎的交集靶點(diǎn)有119個，主要有免疫炎癥因子前列腺素內(nèi)過氧化物合酶2（PTGS2）、核因子κ-B亞基1（NF-κB1）、腫瘤壞死因子（TNF）、花生四烯酸5-脂氧合酶（ALOX5）、白細(xì)胞介素-6（IL-6）、基質(zhì)金屬蛋白酶9（MMP9），生長因子表皮生長因子受體（EGFR）、血管內(nèi)皮生長因子A（VEGFA）、血紅素加氧酶1（HMOX1）、轉(zhuǎn)化生長因子β1（TGFB1），凋亡因子半胱天冬蛋白酶-3（CASP3）、半胱天冬蛋白酶-8（CASP8）、B淋巴細(xì)胞瘤-2（Bcl-2）、Bcl-2相關(guān)X蛋白（BAX），激酶類磷酸肌醇-3-激酶催化亞基α（PIK3CA）、蛋白激酶B1（Akt1）、有絲裂原激活蛋白激酶-1（MAPK1）。此外，腎炎四味片治療慢性腎炎主要通過調(diào)控TNF、IL-17、HIF-1和PI3K/Akt信號通路。通過分子對接證實(shí)腎炎四味片的活性成分與慢性腎炎靶點(diǎn)有較好的對接活性。結(jié)論 腎炎四味片的活性成分可能通過調(diào)控炎癥、生長和凋亡相關(guān)的靶點(diǎn)和通路發(fā)揮治療慢性腎炎的作用。

Objective To explore the active components and mechanism of Shenyan Siwei Tablets in treatment of chronic nephritis based on network pharmacology and molecular docking technology. Methods TCMSP, ETCM, GeneCards and other databases were used to collect the active components and targets of Shenyan Siwei Tablets and targets of chronic nephritis. Subsequently, Cytoscape software and STRING database were used to draw the network diagram of active components and intersection targets of Shenyan Siwei Tablets in the treatment of chronic nephritis, and the protein interaction diagram of intersection targets. The gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis were carried out on the intersection targets by using the Ouyi Cloud platform. In addition, molecular docking technology was used to verify the binding strength of the core components and targets of Shenyan Siwei tablets in the treatment of chronic nephritis. Results There are 128 active ingredients of Shenyan Siwei Tablets in the treatment of chronic nephritis, and quercetin, apigenin, wogonin, kaempferol, baicalin and calycosin were the main active ingredients in treatment of chronic nephritis. A total of 119 intersection targets of Shenyan Siwei Tablets in treatment of chronic nephritis were screened, mainly including immune immune inflammatory factors PTGS2, NF-κB1, TNF, ALOX5, IL-6, MMP9; growth factors EGFR, VEGFA, HMOX1, TGFB1; apoptotic factors CASP3, CASP8, Bcl2, BAX; and kinases PIK3CA, Akt1, MAPK1. In addition, Shenyan Siwei Tablets in treatment of chronic nephritis by regulating the TNF, IL-17, HIF-1 and PI3K/Akt signaling pathways. The core active components of Shenyan Siwei Tablets were confirmed to have good docking activity with the targets of chronic nephritis by molecular docking. Conclusion The active components of Shenyan Siwei Tablets may play a role in the treatment of chronic nephritis by regulating targets and pathways related to inflammation, growth and apoptosis.

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省部共建中亞高發(fā)病成因與防治國家重點(diǎn)實(shí)驗(yàn)室開放課題（SKL-HIDCA-2022-32）；新疆維吾爾自治區(qū)自然科學(xué)基金資助項(xiàng)目（2022D01C744）