Discovery and evaluation of inhibitors to the immunosuppressive enzyme indoleamine 2,3-dioxygenase 1 (IDO1): Probing the active site-inhibitor interactions

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• 作者：Petr Tomek^a ; Brian D. Palmer^a ; Jack U. Flanagan^a ; Chuanwen Sun^a ; ¹ ; Emma L. Raven^b ; Lai-Ming Ching^a ; ^{l.ching@auckland.ac.nz}
• 关键词：IDO ; Indoleamine 2 ; 3-dioxygenase ; Molecular modeling ; Drug screening ; Inhibitors ; Mutagenesis
• 刊名：European Journal of Medicinal Chemistry
• 出版年：2017
• 出版时间：27 January 2017
• 年：2017
• 卷：126
• 期：Complete
• 页码：983-996
• 全文大小：3592 K
• 卷排序：126

文摘

Screening of the NCI Diversity Set III library identified 5 novel IDO1 inhibitors. Pyrimidinone scaffold emerged as a potential drug development candidate. Ser167 in the IDO1 active site is important for potency of diverse IDO1 inhibitors. Molecular docking predicts Ser167 interactions indicated by biochemical data.