Docking poses of HNE inhibitor A1 (panel A) and compound 2c (panel B)
Superimposed docking poses of compound 5b (dark-green) and peptide chloromethyl ketone inhibitor
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Synthesis and analytical characterization of new thiazol-2-(3H)-ones as human neutrophil elastase (HNE) inhibitors.
Schepetkin IA, Kirpotina LN, Mitchell PT, Kishkentaeva АS, Shaimerdenova ZR, Atazhanova GA, Adekenov SM, Quinn MT. Phytochemistry. 2017 Dec 4;146:36-46. doi: 10.1016/j.phytochem.2017.11.010. [Epub ahead of print] PMID: 29216473 Isoxazol-5(2H)-one: a new scaffold for potent human neutrophil elastase (HNE) inhibitors. Vergelli C, Schepetkin IA, Crocetti L, Iacovone A, Giovannoni MP, Guerrini G, Khlebnikov AI, Ciattini S, Ciciani G, Quinn MT. J Enzyme Inhib Med Chem. 2017 Dec;32(1):821-831. doi: 10.1080/14756366.2017.1326915. PMID: 28612630 Synthesis and Pharmacological Evaluation of Indole Derivatives as Deaza Analogues of Potent Human Neutrophil Elastase Inhibitors. Crocetti L, Schepetkin IA, Ciciani G, Giovannoni MP, Guerrini G, Iacovone A, Khlebnikov AI, Kirpotina LN, Quinn MT, Vergelli C. Drug Dev Res. 2016 Sep;77(6):285-99. doi: 10.1002/ddr.21323. Effects of the neutrophil elastase inhibitor EL-17 in rat adjuvant-induced arthritis. Di Cesare Mannelli L, Micheli L, Cinci L, Maresca M, Vergelli C, Pacini A, Quinn MT, Paola Giovannoni M, Ghelardini C. Rheumatology (Oxford). 2016 Jul;55(7):1285-94. doi: 10.1093/rheumatology/kew055. Cinnoline derivatives as human neutrophil elastase inhibitors. Giovannoni MP, Schepetkin IA, Crocetti L, Ciciani G, Cilibrizzi A, Guerrini G, Khlebnikov AI, Quinn MT, Vergelli C. J Enzyme Inhib Med Chem. 2016 Aug;31(4):628-39. doi: 10.3109/14756366.2015.1057718. Optimization of N-benzoylindazole derivatives as inhibitors of human neutrophil elastase. Crocetti L, Schepetkin IA, Cilibrizzi A, Graziano A, Vergelli C, Giomi D, Khlebnikov AI, Quinn MT, Giovannoni MP. J Med Chem. 2013 Aug 8;56(15):6259-72. doi: 10.1021/jm400742j. Design, synthesis and evaluation of N-benzoylindazole derivatives and analogues as inhibitors of human neutrophil elastase. Crocetti L, Giovannoni MP, Schepetkin IA, Quinn MT, Khlebnikov AI, Cilibrizzi A, Piaz VD, Graziano A, Vergelli C. Bioorg Med Chem. 2011 Aug 1;19(15):4460-72. doi: 10.1016/j.bmc.2011.06.036. Structure-activity relationship analysis of N-benzoylpyrazoles for elastase inhibitory activity: a simplified approach using atom pair descriptors. Khlebnikov AI, Schepetkin IA, Quinn MT. Bioorg Med Chem. 2008 Mar 15;16(6):2791-802. doi: 10.1016/j.bmc.2008.01.014. N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase. Schepetkin IA, Khlebnikov AI, Quinn MT. J Med Chem. 2007 Oct 4;50(20):4928-38. |