ArticleACS medicinal chemistry letters2014
Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Article in ACS medicinal chemistry letters, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 44 papers.
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Who cites it
44 citing papers in PubMed, 141 citations in OpenAlex.
- Design, Synthesis, and Biological Evaluation of Dual Functional Inhibitors Targeting Indoleamine 2,3-dioxygenase 1 (IDO1) and Tryptophan 2,3-dioxygenase (TDO).ACS medicinal chemistry letters · 2025Article
- Recent progress in the synthetic and medicinal perspective of imidazo[2,1-Future medicinal chemistry · 2025Review
- Mechanochemical Approach for Metal-Free Regioselective C5-Sulfenylation of Imidazo[2,1-b]Thiazoles.ChemSusChem · 2025Article
- GAPDH heme delivery to Indoleamine 2,3-dioxygenase 1 involves their complex formation and complementary charge pairing at the protein-protein interface.The Journal of biological chemistry · 2025Article
- Discovery of Novel Imidazothiazole-Based Hydroxamic Acid Derivatives as Potent Indoleamine 2,3-Dioxygenase 1 and Histone Deacetylase 6 Dual Inhibitors.Molecules (Basel, Switzerland) · 2025Article
- Rational design of indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors featuring 1,2,3-triazole derivatives with enhanced anti-inflammatory and analgesic efficacy.Frontiers in pharmacology · 2025Article
- Transition Metal-Driven Selectivity in Direct C-H Arylation of Imidazo[2,1-b]Thiazole.ChemistryOpen · 2024Article
- Synthesis and Biological Evaluation of Novel 2-Amino-1,4-Naphthoquinone Amide-Oxime Derivatives as Potent IDO1/STAT3 Dual Inhibitors with Prospective Antitumor Effects.Molecules (Basel, Switzerland) · 2023Article
- Multicomponent Reaction-Assisted Drug Discovery: A Time- and Cost-Effective Green Approach Speeding Up Identification and Optimization of Anticancer Drugs.International journal of molecular sciences · 2023Review
- Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.Journal of enzyme inhibition and medicinal chemistry · 2022Article
- Carboranes in drug discovery, chemical biology and molecular imaging.Nature reviews. Chemistry · 2022Review
- Critical Assessment of a Structure-Based Screening Campaign for IDO1 Inhibitors: Tips and Pitfalls.International journal of molecular sciences · 2022Article
- Design, synthesis and biological evaluation of erlotinib-based IDO1 inhibitors.Frontiers in pharmacology · 2022Article
- Novel 1,2,3-Triazole Erlotinib Derivatives as Potent IDO1 Inhibitors: Design, Drug-Target Interactions Prediction, Synthesis, Biological Evaluation, Molecular Docking and ADME Properties Studies.Frontiers in pharmacology · 2022Article
- Imidazoles as Potential Anticancer Agents: An Update on Recent Studies.Molecules (Basel, Switzerland) · 2021Review
- Discovery of novel IDO1 inhibitors via structure-based virtual screening and biological assays.Journal of computer-aided molecular design · 2021Article
- Aspergillus fumigatus tryptophan metabolic route differently affects host immunity.Cell reports · 2021Article
- Discovery of Icotinib-1,2,3-Triazole Derivatives as IDO1 Inhibitors.Frontiers in pharmacology · 2020Article
- 4,5-Disubstituted 1,2,3-triazoles: Effective Inhibition of Indoleamine 2,3-Dioxygenase 1 Enzyme Regulates T cell Activity and Mitigates Tumor Growth.Scientific reports · 2019Article
- Discovery of cyanopyridine scaffold as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors through virtual screening and preliminary hit optimisation.Journal of enzyme inhibition and medicinal chemistry · 2019Article
Corrections and comments
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Authors and funding
9 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Indoleamine 2,3-dioxygenase 1 (IDO1) is considered as a promising target for the treatment of several diseases, including neurological disorders and cancer. We report here the crystal structures of two IDO1/IDO1 inhibitor complexes, one of which shows that Amg-1 is directly bound to the heme iron of IDO1 with a clear induced fit. We also describe the identification and preliminary optimization of imidazothiazole derivatives as novel IDO1 inhibitors. Using our crystal structure information and structure-activity relationships (SAR) at the pocket-B of IDO1, we found a series of urea derivatives as potent IDO1 inhibitors and revealed that generation of an induced fit and the resulting interaction with Phe226 and Arg231 are essential for potent IDO1 inhibitory activity. The results of this study are very valuable for understanding the mechanism of IDO1 activation, which is very important for structure-based drug design (SBDD) to discover potent IDO1 inhibitors.
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