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 designe...
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MDPI AG
2022-10-01
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| Series: | Pharmaceuticals |
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| Online Access: | https://www.mdpi.com/1424-8247/15/11/1316 |
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| author | Xixi Hou Xiaoqing Gong Longfei Mao Jie Zhao Jianxue Yang |
| author_facet | Xixi Hou Xiaoqing Gong Longfei Mao Jie Zhao Jianxue Yang |
| author_sort | Xixi Hou |
| collection | DOAJ |
| description | 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<sub>50</sub> value of compound <b>3a</b> was 0.75 μM. Molecular docking and quantum mechanical studies further explained the binding mode and reaction potential of compound <b>3a</b> 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. |
| first_indexed | 2024-03-09T18:45:32Z |
| format | Article |
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| issn | 1424-8247 |
| language | English |
| last_indexed | 2024-03-09T18:45:32Z |
| publishDate | 2022-10-01 |
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| series | Pharmaceuticals |
| spelling | doaj.art-e9187804be1d4e5cb5dcf60c93927eb32023-11-24T06:17:57ZengMDPI AGPharmaceuticals1424-82472022-10-011511131610.3390/ph15111316Discovery of Novel 1,2,3-triazole Derivatives as IDO1 InhibitorsXixi Hou0Xiaoqing Gong1Longfei Mao2Jie Zhao3Jianxue Yang4The First Affiliated Hospital and College of Clinical Medicine of Henan University of Science and Technology, Luoyang 471003, ChinaCollege of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, ChinaThe First Affiliated Hospital and College of Clinical Medicine of Henan University of Science and Technology, Luoyang 471003, ChinaSchool of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang 453007, ChinaThe First Affiliated Hospital and College of Clinical Medicine of Henan University of Science and Technology, Luoyang 471003, ChinaIndoleamine 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<sub>50</sub> value of compound <b>3a</b> was 0.75 μM. Molecular docking and quantum mechanical studies further explained the binding mode and reaction potential of compound <b>3a</b> 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.https://www.mdpi.com/1424-8247/15/11/1316indoleamine 2,3-dioxygenase 11,2,3-triazolemolecular dockingquantum mechanical studies |
| spellingShingle | Xixi Hou Xiaoqing Gong Longfei Mao Jie Zhao Jianxue Yang Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors Pharmaceuticals indoleamine 2,3-dioxygenase 1 1,2,3-triazole molecular docking quantum mechanical studies |
| title | Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors |
| title_full | Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors |
| title_fullStr | Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors |
| title_full_unstemmed | Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors |
| title_short | Discovery of Novel 1,2,3-triazole Derivatives as IDO1 Inhibitors |
| title_sort | discovery of novel 1 2 3 triazole derivatives as ido1 inhibitors |
| topic | indoleamine 2,3-dioxygenase 1 1,2,3-triazole molecular docking quantum mechanical studies |
| url | https://www.mdpi.com/1424-8247/15/11/1316 |
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