Background. Scutellaria baicalensis Georgi (SBG) has significant anti-inflammatory and immune-modulating activities and is widely used in the treatment of inflammatory and autoimmune diseases. However, the mechanism of SBG in the treatment of ankylosing spondylitis (AS) remains to be elucidated. Methods. Differentially expressed genes (DEGs) related to AS were analyzed based on two GEO gene chips. The DEGs were merged with the data derived from OMIM, GeneCards, and PharmGKB databases to ascertain AS-related targets. Active components of SBG and their targets were acquired from the TCMSP database. After overlapping the targets of AS and SBG, the action targets were acquired. Subsequently, protein-protein interaction (PPI) network and core target screening were conducted using the STRING database and Cytoscape software. Moreover, the DAVID platform was used to perform Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses of action targets. Finally, the affinity of major active components and core targets was validated with molecular docking. Results. A total of 36 active components of SBG were acquired from TCMSP database. Among these, the main active components were baicalein, wogonin, and oroxylin A. The PPI network and screening showed TNF, IL-6, CXCL8, PTGS2, and VEGFA as core targets associated SBG against AS. GO and KEGG analyses indicated that SBG participated in various biological processes, via regulating IL-17, TNF, and NF-κB signaling pathways. Molecular docking results confirmed a strong binding activity between the main active components and the core targets. Conclusion. The therapeutic mechanism of SBG associated with AS can be characterized as a multicomponent, multitarget, and multipathway mechanism. SBG may be a promising therapeutic candidate for AS.

中文翻译：

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基于综合药理学模型探讨黄芩抗强直性脊柱炎的潜在治疗机制

背景。黄芩 (SBG) 具有显着的抗炎和免疫调节活性，广泛用于治疗炎症和自身免疫性疾病。然而，SBG治疗强直性脊柱炎（AS）的机制仍有待阐明。方法. 基于两个GEO基因芯片分析与AS相关的差异表达基因（DEGs）。DEG 与来自 OMIM、GeneCards 和 PharmGKB 数据库的数据合并，以确定与 AS 相关的目标。SBG 的活性成分及其靶标是从 TCMSP 数据库中获取的。将AS和SBG的目标重叠后，就获得了动作目标。随后，使用STRING数据库和Cytoscape软件进行了蛋白质-蛋白质相互作用（PPI）网络和核心目标筛选。此外，DAVID 平台用于执行基因本体论 (GO) 和京都基因与基因组百科全书 (KEGG) 的行动目标分析。最后，通过分子对接验证了主要活性成分和核心靶标的亲和力。结果. 从 TCMSP 数据库中获得了 SBG 的 36 种活性成分。其中，主要活性成分是黄芩素、汉黄芩素和 oroxylin A。PPI 网络和筛选显示 TNF、IL-6、CXCL8、PTGS2 和 VEGFA 是与 SBG 抗 AS 相关的核心靶点。GO 和 KEGG 分析表明 SBG 通过调节 IL-17、TNF 和 NF-κB 信号通路参与多种生物学过程。分子对接结果证实了主要活性成分与核心靶点之间具有很强的结合活性。结论。SBG 与 AS 相关的治疗机制可表征为多组分、多靶点和多途径机制。SBG 可能是 AS 的一个有前途的治疗候选者。