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Open AccessArticle

Synthesis and Molecular Modelling Studies of New 1,3-Diaryl-5-Oxo-Proline Derivatives as Endothelin Receptor Ligands

1
Department of Drug Sciences, University of Catania, Viale A. Doria 6, 95125 Catania, Italy
2
University of Science and Technology, Biomedical Sciences Program, Zewail City of Science and Technology, October Gardens, 6th of October, Giza 12578, Egypt
3
Medicinal Chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt
4
Istituto di Ricerche Farmacologiche “Mario Negri”, IRCCS. Via Mario Negri, 2, 20156 Milano, Italy
*
Author to whom correspondence should be addressed.
Molecules 2020, 25(8), 1851; https://doi.org/10.3390/molecules25081851
Received: 25 March 2020 / Revised: 14 April 2020 / Accepted: 15 April 2020 / Published: 17 April 2020
(This article belongs to the Section Medicinal Chemistry)
The synthesis of seventeen new 1,3-diaryl-5-oxo-proline derivatives as endothelin receptor (ETR) ligands is described. The structural configuration of the new molecules was determined by analyzing selected signals in proton NMR spectra. In vitro binding assays of the human ETA and ETB receptors allowed us to identify compound 31h as a selective ETAR ligand. The molecular docking of the selected compounds and the ETA antagonist atrasentan in the ETAR homology model provided insight into the structural elements required for the affinity and the selectivity of the ETAR subtype. View Full-Text
Keywords: endothelin receptors; ETA ligands; 1,3-diaryl-5-oxo-proline derivatives; homology modeling; molecular docking endothelin receptors; ETA ligands; 1,3-diaryl-5-oxo-proline derivatives; homology modeling; molecular docking
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MDPI and ACS Style

Intagliata, S.; Helal, M.A.; Materia, L.; Pittalà, V.; Salerno, L.; Marrazzo, A.; Cagnotto, A.; Salmona, M.; Modica, M.N.; Romeo, G. Synthesis and Molecular Modelling Studies of New 1,3-Diaryl-5-Oxo-Proline Derivatives as Endothelin Receptor Ligands. Molecules 2020, 25, 1851.

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