连素苷B激活siglece -14,通过JAK1/STAT1途径抑制HIV-1复制。

IF 8.5 1区 化学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY
Shanshan Chen, Xiaopeng Hu, Feirong Chen, Jie Liu, Jinming Su, Rongfeng Chen, Wudi Wei, Zongxiang Yuan, Sanqi An, Li Ye, Hao Liang, Junjun Jiang
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引用次数: 0

摘要

艾滋病毒/艾滋病对全球健康构成严重挑战。虽然抗逆转录病毒治疗是至关重要的,但它也有局限性,包括成本高和耐药性,并且需要长期使用。因此,需要具有独特结构和创新机制的新型抗病毒药物来更好地管理艾滋病毒/艾滋病。我们之前的研究表明siglece -14抑制HIV-1复制。在本研究中,我们利用同源性建模和AlphaFold 2来预测siglece -14的结构,然后通过分子动力学模拟来探索其构象景观。采用MM-GBSA法计算了所选小分子的结合自由能。其中连翘苷B (Forsythoside B, FTS·B)的结合自由能最高,增强了siglece -14的构象稳定性。SPR分析进一步证实FTS·B与siglece -14具有较强的结合亲和力。体外实验表明,FTS·B可上调巨噬细胞中siglece -14的表达,抑制HIV-1的复制。在机制上,FTS·B抑制促炎细胞因子,增加干扰素刺激基因和趋化因子的表达,激活siglece -14敲除巨噬细胞的JAK1/STAT1通路。我们的研究结果证实,FTS·B作为Siglec-14的激动剂,通过上调Siglec-14的表达和调节JAK1/STAT1信号通路,有效抑制HIV-1的复制,突出了FTS·B在HIV治疗中的潜在临床应用价值。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Forsythoside B activates Siglec-14 to inhibit HIV-1 replication via the JAK1/STAT1 pathway.

The HIV/AIDS epidemic poses a severe global health challenge. While antiretroviral therapy is crucial, it has limitations, including high costs and resistance, and requires long-term use. Consequently, novel antiviral agents with unique structures and innovative mechanisms are needed for better management of HIV/AIDS. We previously discovered that Siglec-14 inhibits HIV-1 replication. In this study, we employed homology modeling and AlphaFold 2 to predict the structure of Siglec-14, followed by molecular dynamics simulations to explore its conformational landscape. The MM/GBSA method was used to calculate the binding free energy of selected small molecules. Among them, Forsythoside B (FTS·B) exhibited the highest binding free energy and enhanced Siglec-14's conformational stability. SPR analysis further confirmed a strong binding affinity between FTS·B and Siglec-14. In vitro experiments demonstrated that FTS·B upregulates Siglec-14 expression and suppresses HIV-1 replication in macrophages. Mechanistically, FTS·B suppresses pro-inflammatory cytokines, increases the expression of interferon-stimulated genes and chemokines, and activates the JAK1/STAT1 pathway in Siglec-14 knockdown macrophages. Our results confirm that FTS·B, as an agonist of Siglec-14, effectively inhibits HIV-1 replication by upregulating Siglec-14 expression and modulating the JAK1/STAT1 signaling pathway, highlighting the potential clinical application value of FTS·B in HIV treatment.

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来源期刊
International Journal of Biological Macromolecules
International Journal of Biological Macromolecules 生物-生化与分子生物学
CiteScore
13.70
自引率
9.80%
发文量
2728
审稿时长
64 days
期刊介绍: The International Journal of Biological Macromolecules is a well-established international journal dedicated to research on the chemical and biological aspects of natural macromolecules. Focusing on proteins, macromolecular carbohydrates, glycoproteins, proteoglycans, lignins, biological poly-acids, and nucleic acids, the journal presents the latest findings in molecular structure, properties, biological activities, interactions, modifications, and functional properties. Papers must offer new and novel insights, encompassing related model systems, structural conformational studies, theoretical developments, and analytical techniques. Each paper is required to primarily focus on at least one named biological macromolecule, reflected in the title, abstract, and text.
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