AUTHOR=Hou Xi-Xi , Wu Zi-Yuan , Zhan An , Gao En , Mao Long-Fei , Wang Hui-Li , Yang Jian-Xue 

TITLE=Synthesis and activity study of novel N,N-diphenylurea derivatives as IDO1 inhibitors

JOURNAL=Frontiers in Chemistry

VOLUME=11

YEAR=2023

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2023.1222825

DOI=10.3389/fchem.2023.1222825

ISSN=2296-2646

ABSTRACT=<p>Indoleamine 2,3-dioxygenase 1 (IDO1) has attracted much attention in the field of cancer immunotherapy as an immunomodulatory enzyme. To identify potential IDO1 inhibitors, a novel series of compounds with N,N-diphenylurea and triazole structures were synthesized. The designed compounds underwent organic synthesis, and subsequent enzymatic activity experiments targeting IDO1 confirmed their activity at the molecular level. These experiments provided validation for the efficacy of the designed compounds in inhibiting IDO1, compound <bold>3g</bold> exhibited an IC<sub>50</sub> value of 1.73 ± 0.97 μM. Further molecular docking study further explained the binding mode and reaction potential of compound <bold>3g</bold> 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.</p>