Altern Ther Health Med. 2024 Jan;30(1):366-373.
The differential gene analysis of ferroptosis inreating allergic rhinitis with Bu-Zhong-Yi-Qi-Decoction based on GEO using network pharmacology and molecular docking .
This study used databases such as TCMSP to search for traditional Chinese herbal medicine's active ingredients and targets in Bu-Zhong-Yi-Qi-Decoction in treating allergic rhinitis. GeneCards, OMIM, TTD, and PharmaGkb were used to obtain disease targets for allergic rhinitis, and R language was used to screen Bu-Zhong-Yi-Qi-Decoction as the main target for treating allergic rhinitis. Retrieve the gene dataset of allergic rhinitis using the GEO database, analyze ferroptosis-related genes, and select the intersection of effective targets of Bu-Zhong-Yi-Qi-Decoction for treating allergic rhinitis and ferroptosis-related genes of allergic rhinitis, draw protein interaction networks using the STRING database, use Cytoscape software to construct the target regulatory network of Bu-Zhong-Yi-Qi-Decoction for treating allergic rhinitis and ferroptosis related genes, and then use the CytoNCA plugin to screen key targets. Using R language, Gene ontology, and the biological pathway enrichment analysis were performed on the predicted targets related to the treatment of allergic rhinitis and ferroptosis with Bu-Zhong-Yi-Qi-Decoction. Selecting key targets and active ingredients for molecular docking to explore the potential mechanism of Bu-Zhong-Yi-Qi-Decoction in treating ferroptosis in allergic rhinitis.
After searching the TCMSP database, a total of 182 active ingredients were obtained from 8 traditional Chinese medicines of Bu-Zhong-Yi-Qi-Decoction, such as naringenin, kaempferol, Isorhamnetin, corresponding to 3023 targets and 2025 targets related to allergic rhinitis. There are 30 remarkably enriched Go analyses for biological function of potential target genes of Bu-Zhong-Yi-Qi-Decoction in allergic rhinitis, such as regulation of apoptotic signaling pathway, cellular response to peptide, wound healing, etc. Among them, there are 7 key genes related to the treatment of allergic rhinitis and ferroptosis with Bu-Zhong-Yi-Qi-Decoction, namely TP53, MAPK1, MAPK14, HIF1A, AR, CAV1, GSK3B.
The treatment of allergic rhinitis with Bu-Zhong-Yi-Qi-Decoction is a process involving multiple divisions, targets, and pathways. These results indicated that oral Bu-Zhong-Yi-Qi-Decoction may effectively treat allergic rhinitis in clinical practice.
基于 GEO 采用网络药理学和分子对接技术,对补中益气汤治疗变应性鼻炎的铁死亡差异基因进行分析。
本研究利用 TCMSP 等数据库,检索补中益气汤治疗变应性鼻炎的中药活性成分及作用靶点。利用 GeneCards、OMIM、TTD、PharmaGkb 等数据库获取变应性鼻炎的疾病靶点,并用 R 语言筛选补中益气汤治疗变应性鼻炎的主要作用靶点。利用 GEO 数据库检索变应性鼻炎基因数据集,分析铁死亡相关基因,并选择补中益气汤治疗变应性鼻炎的有效靶点与变应性鼻炎铁死亡相关基因的交集,利用 STRING 数据库绘制蛋白互作网络,用 Cytoscape 软件构建补中益气汤治疗变应性鼻炎与铁死亡相关基因的靶标调控网络,然后利用 CytoNCA 插件筛选关键靶标。采用 R 语言对预测的与补中益气汤治疗变应性鼻炎和铁死亡相关的靶标进行基因本体和通路富集分析。选取关键靶标和活性成分进行分子对接,探索补中益气汤治疗变应性鼻炎铁死亡的潜在机制。
通过 TCMSP 数据库检索,共获得 8 味补中益气汤中药的 182 个活性成分,对应 3023 个靶点,2025 个与变应性鼻炎相关的靶点。补中益气汤治疗变应性鼻炎潜在靶基因有 30 个显著富集的 GO 生物学功能分析,如凋亡信号通路的调节、细胞对肽的反应、伤口愈合等。其中,有 7 个关键基因与补中益气汤治疗变应性鼻炎和铁死亡相关,分别为 TP53、MAPK1、MAPK14、HIF1A、AR、CAV1、GSK3B。
补中益气汤治疗变应性鼻炎是一个涉及多个分支、靶标和途径的过程。这些结果表明,口服补中益气汤可能在临床上有效治疗变应性鼻炎。