新型1,2,3-三唑类IDO1抑制剂的发现。

Xixi Hou, Xiaoqing Gong, Longfei Mao, Jie Zhao, Jianxue Yang
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引用次数: 2

摘要

吲哚胺2,3-双加氧酶1 (IDO1)作为一种免疫调节酶在肿瘤免疫治疗领域受到广泛关注。虽然一些IDO1抑制剂已经进入临床试验,但目前市场上还没有IDO1抑制剂药物。为了探索潜在的IDO1抑制剂,我们设计了一系列具有尿素和1,2,3-三唑结构的化合物。有机合成和IDO1酶活性实验验证了所设计化合物的分子水平活性,化合物3a的IC50值为0.75 μM。分子对接和量子力学研究进一步解释了化合物3a与IDO1的结合方式和反应势。我们的研究已经产生了一系列新的IDO1抑制剂,这有利于开发针对多种癌症疾病的IDO1药物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors.

Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors.

Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors.

Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors.

Indoleamine 2,3-dioxygenase 1 (IDO1) has received much attention as an immunomodulatory enzyme in the field of cancer immunotherapy. While several IDO1 inhibitors have entered clinical trials, there are currently no IDO1 inhibitor drugs on the market. To explore potential IDO1 inhibitors, we designed a series of compounds with urea and 1,2,3-triazole structures. Organic synthesis and IDO1 enzymatic activity experiments verified the molecular-level activities of the designed compounds, and the IC50 value of compound 3a was 0.75 μM. Molecular docking and quantum mechanical studies further explained the binding mode and reaction potential of compound 3a with IDO1. Our research has resulted in a series of novel IDO1 inhibitors, which is beneficial to the development of drugs targeting IDO1 in numerous cancer diseases.

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