[關(guān)鍵詞]
[摘要]
目的 基于網(wǎng)絡(luò)藥理學(xué)探討白仙風(fēng)湯劑治療類風(fēng)濕性關(guān)節(jié)炎的活性成分,并預(yù)測(cè)其可能機(jī)制。方法 白仙風(fēng)湯劑中白芍、甘草、青風(fēng)藤、威靈仙4味草藥在TCMSP數(shù)據(jù)庫中檢索,經(jīng)口服吸收率(OB)、類藥性、半衰期條件篩選得到藥物有效成分,并進(jìn)行靶點(diǎn)預(yù)測(cè);從OMIM、TTD、PharmGKB和GAD數(shù)據(jù)庫對(duì)類風(fēng)濕性關(guān)節(jié)炎靶點(diǎn)進(jìn)行檢索;使用Cytoscape 3.2.1軟件構(gòu)建藥物成分靶點(diǎn)蛋白相互作用網(wǎng)絡(luò),對(duì)該網(wǎng)絡(luò)進(jìn)行拓?fù)鋵W(xué)分析得到核心化學(xué)成分及核心靶點(diǎn);對(duì)核心靶點(diǎn)基因進(jìn)行GO通路分析和KEGG生物過程分析。結(jié)果 篩選得到白芍有效成分10個(gè),甘草有效成分66個(gè),青風(fēng)藤有效成分6個(gè),威靈仙有效成分8個(gè),刪除共有的有效成分,共有83個(gè)有效活性化合物,對(duì)這些化合物進(jìn)行靶點(diǎn)預(yù)測(cè),共得到260個(gè)藥物靶點(diǎn);對(duì)疾病相關(guān)靶點(diǎn)進(jìn)行檢索,共得到58個(gè)疾病靶點(diǎn)。通過對(duì)藥物成分-疾病靶點(diǎn)網(wǎng)絡(luò)節(jié)點(diǎn)的拓?fù)鋵W(xué)分析得到槲皮素、β-谷甾醇、豆甾醇、甘草素等19個(gè)核心化學(xué)成分,及絲裂原活化蛋白激酶14、雌激素受體、糖皮質(zhì)激素受體等9個(gè)核心靶點(diǎn),對(duì)這些靶點(diǎn)進(jìn)行通路富集發(fā)現(xiàn)藥物治療疾病涉及血管內(nèi)皮生長因子(VEGF)信號(hào)通路、調(diào)節(jié)脂肪細(xì)胞中的脂肪分解、催乳素信號(hào)通路、雌激素信號(hào)通路、TNF信號(hào)通路等11條通路。結(jié)論 白仙風(fēng)湯劑主要通過VEGF信號(hào)通路、調(diào)節(jié)脂肪細(xì)胞中的脂肪分解、催乳素信號(hào)通路等多條途徑實(shí)現(xiàn)類風(fēng)濕性關(guān)節(jié)炎的治療作用,表現(xiàn)出多成分、多靶點(diǎn)、多通路的特點(diǎn),與類風(fēng)濕關(guān)節(jié)炎治療機(jī)制相一致。
[Key word]
[Abstract]
Objective Based on network pharmacology, the basis of active ingredients of rheumatoid arthritis treated by Bai Xian Feng decoction was discussed, and its possible mechanism was predicted. Method The four herbs in Baixianfeng Decoction, Paeonia lactiflora, Licorice, Sinomenia sinensis and Willingxian, were searched in TCMSP database. The active ingredients were screened by oral absorption rate (OB), medicinal properties and half-life conditions, and the target was predicted. The target of rheumatoid arthritis was searched from OMIM, TTD, PharmGKB and GAD databases. The target eggs of drug components were constructed by Cytose 3.2.1 software. White Interaction Network (BIN) is used to obtain core chemical components and core targets by topological analysis, GO pathway analysis and KEGG biological process analysis of core target genes. Result There were 10 effective ingredients of Paeoniae Radix Alba, 64 effective components of licorice, 6 effective constituents of Caulis Sinomenii and 8 effective components of Radix Clematidis. A total of 83 effective active compounds were deleted. The targets of these compounds were predicted, and 260 drug targets were obtained. At the same time, a total of 58 disease targets were obtained. By the topology analysis of the network nodes, 19 core chemical components, such as beta sterol, sterol, glycyrrhizin and naringin, are obtained, and 9 cores, such as mitogen activated protein kinase 14, estrogen receptor, glucocorticoid receptor, etc. Targeting, the pathway enrichment of these targets is found to involve 11 pathways, such as VEGF signaling pathway, estrogen signaling pathway, TNF signaling pathway, and cGMP-PKG signaling pathway. Conclusion Baixianfeng Decoction mainly regulates the treatment of rheumatoid arthritis through VEGF signaling pathway, regulating fat breakdown in fat cells and prolactin signaling pathway.Baixianfeng Decoction for rheumatoid arthritis shows multi-component, multi-target, multi-channel characteristics, consistent with the treatment mechanism of rheumatoid arthritis.
[中圖分類號(hào)]
[基金項(xiàng)目]
安徽省自然科學(xué)基金(1408085MH151)