Network pharmacology and bioinformatics analysis identified essential genes of Jingulian in the treatment of rheumatoid arthritis and COVID-19.
Network pharmacology and bioinformatics analysis identified essential genes of Jingulian in the treatment of rheumatoid arthritis and COVID-19.
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网络药理学和生物信息学分析确定了金谷连治疗类风湿关节炎和COVID-19的关键基因
DOI：
10.21037/atm-22-1665
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发表时间：
2022-06
影响因子：
--
通讯作者：
Gao M
中科院分区：
文献类型：
--
作者：
Zhou H;Zou C;Wang B;Li C;Lin M;Mo L;Zhang B;Huang N;Wei B;Yang X;Liu W;Xiong G;Shen Z;Zhou W;Liu X;Li W;Gao M
背景类风湿性关节炎（RA）患者由于免疫系统功能障碍，可能更容易感染冠状病毒病-19（COVID-19）。然而，对于RA和COVID-19患者的治疗策略仍然不足。由于筋骨莲是一种具有抗病毒和免疫调节功能的中药，我们的研究旨在探讨筋骨莲治疗RA和COVID-19患者的详细机制。方法通过药理学数据库检索金骨莲的所有成分。然后，通过一系列基于网络药理学的分析和分子对接，了解金骨连在RA/COVID-19患者中的分子功能、核心靶点、相关通路和潜在治疗靶点。结果根据疾病-化合物-靶标网络共识别出93个基因。我们研究了金谷连在RA和COVID-19中的主要靶点、信号通路和生物学功能。我们的研究结果表明，金谷连可能通过免疫过程和病毒过程治疗RA/COVID-19患者。此外，分子对接的结果显示，苦杏仁酸是金骨莲的顶级化合物之一，与RA/COVID-19患者的Janus激酶1（JAK 1）、信号转导和转录激活因子3（STAT 3）、表皮生长因子受体（EGFR）具有高亲和力。此外，还确定了金骨连的5个核心靶点，包括JAK 1、Janus激酶2（JAK 2）、STAT 3、淋巴细胞特异性蛋白酪氨酸激酶（LCK）和EGFR。结论筋骨莲中的苦杏仁酸可能通过调节JAK 1、STAT 3和EGFR的表达，在RA/COVID-19的发病中发挥重要作用。
Background Patients with rheumatoid arthritis (RA) may be more susceptible to infection by coronavirus disease-19 (COVID-19) due to immune system dysfunction. However, there are still insufficient treatment strategies for patients with RA and COVID-19. Since Jingulian is a traditional Chinese medicine (TCM) with anti-viral and immune regulatory functions, our study aims to explore the detailed mechanisms of Jingulian in treating patients with RA and COVID-19. Methods All the components of Jingulian were retrieved from pharmacology databases. Then, a series of network pharmacology-based analyses and molecular docking were used to understand the molecular functions, core targets, related pathways, and potential therapeutic targets of Jingulian in patients with RA/COVID-19. Results A total of 93 genes were identified according to the disease-compound-target network. We investigated that the main targets, signaling pathways, and biological functions of Jingulian in RA and COVID-19. Our results indicated that Jingulian may treat patients with RA/COVID-19 through immune processes and viral processes. Moreover, the results of molecular docking revealed that tormentic acid was one of the top compounds of Jingulian, which had high affinity with Janus kinase 1 (JAK1), signal transducer and activator of transcription 3 (STAT3), and epidermal growth factor receptor (EGFR) in patients with RA/COVID-19. Furthermore, 5 core targets of Jingulian were also identified, including JAK1, Janus kinase 2 (JAK2), STAT3, lymphocyte specific protein tyrosine kinase (LCK), and EGFR. Conclusions Tormentic acid in Jingulian may regulate JAK1, STAT3, and EGFR, and might play a critical role in RA/COVID-19.
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