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首页> 美国卫生研究院文献>PLoS Clinical Trials >Docking analysis and the possibility of prediction efficacy for an anti-IL-13 biopharmaceutical treatment with tralokinumab and lebrikizumab for bronchial asthma
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Docking analysis and the possibility of prediction efficacy for an anti-IL-13 biopharmaceutical treatment with tralokinumab and lebrikizumab for bronchial asthma

机译：曲妥珠单抗和来昔单抗抗IL-13生物药物治疗支气管哮喘的对接分析和预测疗效的可能性

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Interleukin-13 (IL-13) is associated with allergic airway inflammation and airway remodeling. Our group found a variant with a single nucleotide polymorphism in the IL13 gene at position +2044G>A (rs20541) that was expected to result in the non-conservative replacement of a positively charged arginine (R) with a neutral glutamine (Q) at position 144. IL-13Q144 was associated with augmented allergic airway inflammation and bronchial asthma remodeling. There is some indication that anti-IL-13 monoclonal antibodies can demonstrate a positive effect on the clinical course of refractory asthmatic patients. To date, the binding stability of these agents for IL-13Q144 is unknown. The objective of this study was to investigate the prediction efficacy of the anti-IL-13 monoclonal antibodies tralokinumab and lebrikizumab in asthmatic patients with IL-13R144 and IL-13Q144. The three-dimensional (3-D) structure of tralokinumab was obtained from the Protein Data Bank (PDB ID: 5L6Y), and the complete 3-D structure of lebrikizumab was built through homology modeling. For the binding stability analysis, we performed and analyzed docking simulations of IL-13 with tralokinumab or lebrikizumab. The tralokinumab and lebrikizumab structures changed after binding to IL-13 to facilitate binding with IL-13Q144. The stability analysis with tralokinumab and lebrikizumab demonstrated that IL-13Q144 was more stable than IL-13R144 for both the Rosetta energy score and for the free energy of binding. IL-13Q144 might be a promising predictor of responsiveness to tralokinumab and lebrikizumab treatment for bronchial asthma.
机译：白细胞介素13（IL-13）与过敏性气道炎症和气道重塑有关。我们的小组在+ 2044G> A位置（rs20541）的IL13基因中发现了一个具有单核苷酸多态性的变体，预期该变体将导致在正态的精氨酸（R）非保守替换为中性谷氨酰胺（Q）。位置144。IL-13Q144与过敏性气道炎症增加和支气管哮喘重塑有关。有迹象表明抗IL-13单克隆抗体可对难治性哮喘患者的临床病程显示出积极的作用。迄今为止，这些试剂对IL-13Q144的结合稳定性尚不清楚。这项研究的目的是研究抗IL-13单克隆抗体tralokinumab和lebrikizumab在患有IL-13R144和IL-13Q144的哮喘患者中的预测疗效。从蛋白质数据库（PDB ID：5L6Y）获得了tralokinumab的三维（3-D）结构，并通过同源性建模构建了lebrikizumab的完整3-D结构。对于结合稳定性分析，我们进行并分析了IL-13与traokinumab或lebrikizumab的对接模拟。结合至IL-13后，tralokinumab和lebrikizumab的结构发生了变化，以利于与IL-13Q144结合。用tralokinumab和lebrikizumab进行的稳定性分析表明，对于Rosetta能谱和结合自由能，IL-13Q144比IL-13R144更稳定。 IL-13Q144可能是对traokinumab和lebrikizumab治疗支气管哮喘反应性的有希望的预测指标。

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