Docking poses for FPR1 agonists (panels a–d) and non-active analogs (panel e) relative to the surface of the FPR1 binding site (left part) and amino acids Thr199, Arg201, Gly202, and Ala261 with the protein surface removed (right part)
Docking poses of fMLF and the two most potent benzimid-azole FPR1 agonists
Multimolecule template for FPR2 and alignments of two molecules on the template
Multimolecule templates for FPR1 and FPR2
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Novel ureidopropanamide based N-formyl peptide receptor 2 (FPR2) agonists with potential application for central nervous system disorders characterized by neuroinflammation.
Stama ML, Ślusarczyk J, Lacivita E, Kirpotina LN, Schepetkin IA, Chamera K, Riganti C, Perrone R, Quinn MT, Basta-Kaim A, Leopoldo M. Eur J Med Chem. 2017 Dec 1;141:703-720. doi: 10.1016/j.ejmech.2017.09.023. Epub 2017 Sep 18. PMID: 29102463 4-Aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-ones as N-formyl peptide receptor 1 (FPR1) antagonists. Kirpotina LN, Schepetkin IA, Khlebnikov AI, Ruban OI, Ge Y, Ye RD, Kominsky DJ, Quinn MT. Biochem Pharmacol. 2017 Oct 15;142:120-132. doi: 10.1016/j.bcp.2017.07.004. Epub 2017 Jul 8. PMID: 28690139 Synthesis of Five- and Six-Membered N-Phenylacetamido Substituted Heterocycles as Formyl Peptide Receptor Agonists. Vergelli C, Schepetkin IA, Ciciani G, Cilibrizzi A, Crocetti L, Giovannoni MP, Guerrini G, Iacovone A, Kirpotina LN, Ye RD, Quinn MT.Drug Dev Res. 2017 Feb;78(1):49-62. doi: 10.1002/ddr.21370. Epub 2016 Nov 18. PMID: 27859446 Synthesis of Five- and Six-Membered N-Phenylacetamido Substituted Heterocycles as Formyl Peptide Receptor Agonists. Vergelli C, Schepetkin IA, Ciciani G, Cilibrizzi A, Crocetti L, Giovannoni MP, Guerrini G, Iacovone A, Kirpotina LN, Ye RD, Quinn MT. Drug Dev Res. 2016 Nov 18. doi: 10.1002/ddr.21370. [Epub ahead of print] Antagonism of human formyl peptide receptor 1 with natural compounds and their synthetic derivatives. Schepetkin IA, Khlebnikov AI, Kirpotina LN, Quinn MT. Int Immunopharmacol. 2016 Aug;37:43-58. doi: 10.1016/j.intimp.2015.08.036. 2-Arylacetamido-4-phenylamino-5-substituted pyridazinones as formyl peptide receptors agonists. Vergelli C, Schepetkin IA, Ciciani G, Cilibrizzi A, Crocetti L, Giovannoni MP, Guerrini G, Iacovone A, Kirpotina LN, Khlebnikov AI, Ye RD, Quinn MT. Bioorg Med Chem. 2016 Apr 8. pii: S0968-0896(16)30253-X. doi: 10.1016/j.bmc.2016.04.019. [Epub ahead of print] Novel 3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)ureido]propanamides as selective agonists of human formyl-peptide receptor 2. 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Kirpotina LN, Khlebnikov AI, Schepetkin IA, Ye RD, Rabiet MJ, Jutila MA, Quinn MT. Mol Pharmacol. 2010 Feb;77(2):159-70. doi: 10.1124/mol.109.060673. 6-methyl-2,4-disubstituted pyridazin-3(2H)-ones: a novel class of small-molecule agonists for formyl peptide receptors. Cilibrizzi A, Quinn MT, Kirpotina LN, Schepetkin IA, Holderness J, Ye RD, Rabiet MJ, Biancalani C, Cesari N, Graziano A, Vergelli C, Pieretti S, Dal Piaz V, Giovannoni MP. J Med Chem. 2009 Aug 27;52(16):5044-57. doi: 10.1021/jm900592h. High-throughput screening for small-molecule activators of neutrophils: identification of novel N-formyl peptide receptor agonists. Schepetkin IA, Kirpotina LN, Khlebnikov AI, Quinn MT. Mol Pharmacol. 2007 Apr;71(4):1061-74. |