Chemistry Section, Pharmacy, Cosmetic Chemistry and Biotechnology Research Group, Łukasiewicz Research Network-Industrial Chemistry Institute, Rydygiera 8, 01-793 Warsaw, Poland.
Department of Biochemistry and Nutrition, Centre for Preclinical Research and Technologies, Medical University of Warsaw, S. Banacha1b, 02-097 Warsaw, Poland.
Molecules. 2023 Mar 1;28(5):2287. doi: 10.3390/molecules28052287.
Chronic overproduction of IL-15 contributes to the pathogenesis of numerous inflammatory and autoimmune disorders. Experimental methods used to reduce the cytokine activity show promise as potential therapeutic approaches to modify IL-15 signaling and alleviate the development and progression of IL-15-related diseases. We previously demonstrated that an efficient reduction of IL-15 activity can be obtained by selective blocking of the specific, high affinity subunit alpha of the IL-15 receptor (IL-15Rα) with small-molecule inhibitors. In this study, we determined the structure-activity relationship of currently known IL-15Rα inhibitors in order to define the critical structural features required for their activity. To validate our predictions, we designed, analyzed in silico, and assessed in vitro function of 16 new potential IL-15Rα inhibitors. All newly synthesized molecules were benzoic acid derivatives with favorable ADME properties and they efficiently reduced IL-15 dependent peripheral blood mononuclear cells (PBMCs) proliferation, as well as TNF-α and IL-17 secretion. The rational design of IL-15 inhibitors may propel the identification of potential lead molecules for the development of safe and effective therapeutic agents.
慢性过度产生的白细胞介素-15 有助于许多炎症和自身免疫性疾病的发病机制。用于降低细胞因子活性的实验方法显示出作为潜在治疗方法的前景,可用于改变白细胞介素-15 信号传导并减轻白细胞介素-15 相关疾病的发展和进展。我们之前证明,通过使用小分子抑制剂选择性阻断白细胞介素-15 受体(IL-15Rα)的特异性、高亲和力亚基α,可以有效地降低白细胞介素-15 的活性。在这项研究中,我们确定了目前已知的白细胞介素-15Rα抑制剂的结构-活性关系,以确定其活性所需的关键结构特征。为了验证我们的预测,我们设计、计算机分析并评估了 16 种新的潜在白细胞介素-15Rα抑制剂的体外功能。所有新合成的分子均为具有良好 ADME 特性的苯甲酸衍生物,它们可有效降低白细胞介素-15 依赖性外周血单核细胞(PBMC)增殖以及 TNF-α 和白细胞介素-17 的分泌。白细胞介素-15 抑制剂的合理设计可能会推动安全有效的治疗药物开发的潜在先导分子的鉴定。