Hou Xixi, Gong Xiaoqing, Mao Longfei, Zhao Jie, Yang Jianxue
The First Affiliated Hospital and College of Clinical Medicine of Henan University of Science and Technology, Luoyang 471003, China.
College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, China.
Pharmaceuticals (Basel). 2022 Oct 25;15(11):1316. doi: 10.3390/ph15111316.
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 IC value of compound was 0.75 μM. Molecular docking and quantum mechanical studies further explained the binding mode and reaction potential of compound 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.
吲哚胺2,3-双加氧酶1（IDO1）作为癌症免疫治疗领域中的一种免疫调节酶受到了广泛关注。尽管几种IDO1抑制剂已进入临床试验阶段，但目前市场上尚无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，化合物的IC值为0.75μM。分子对接和量子力学研究进一步解释了化合物与IDO1的结合模式和反应潜力。我们的研究产生了一系列新型IDO1抑制剂，这有利于针对多种癌症疾病开发靶向IDO1的药物。
