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Your search keyword '"De Cesco, Stéphane"' showing total 11 results
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11 results on '"De Cesco, Stéphane"'

1. Structure elucidation of a human melanocortin-4 receptor specific orthosteric nanobody agonist

Author

Fontaine, Thomas, Busch, Andreas, Laeremans, Toon, De Cesco, Stéphane, Liang, Yi-Lynn, Jaakola, Veli-Pekka, Sands, Zara, Triest, Sarah, Masiulis, Simonas, Dekeyzer, Lies, Samyn, Noor, Loeys, Nicolas, Perneel, Lisa, Debaere, Melanie, Martini, Murielle, Vantieghem, Charlotte, Virmani, Richa, Skieterska, Kamila, Staelens, Stephanie, Barroco, Rosa, Van Roy, Maarten, and Menet, Christel

Published
2024
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2. Structure elucidation of a human melanocortin-4 receptor specific orthosteric nanobody agonist

Author

Menet, Christel, primary, Laeremans, Toon, additional, Fontaine, Thomas, additional, Busch, Andreas, additional, De Cesco, Stéphane, additional, Triest, Sarah, additional, Dekeyzer, Lies, additional, Samyn, Noor, additional, Loeys, Nicolas, additional, Perneel, Lisa, additional, Debaere, Melanie, additional, virmani, richa, additional, skieterska, kamila, additional, staelens, stephanie, additional, Roy, maarten Van, additional, Liang, Yi-Lynn, additional, Jaakola, Veli-Pekka, additional, Sands, Zara, additional, Masiulis, Simonas, additional, Martini, Murielle, additional, and Barroco, Rosa, additional

Published
2023
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4. Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein α

Author

Plescia, Jessica, primary, De Cesco, Stéphane, additional, Patrascu, Mihai Burai, additional, Kurian, Jerry, additional, Di Trani, Justin, additional, Dufresne, Caroline, additional, Wahba, Alexander S., additional, Janmamode, Naëla, additional, Mittermaier, Anthony K., additional, and Moitessier, Nicolas, additional

Published
2019
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6. Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein α

Author

Plescia, Jessica, De Cesco, Stéphane, Patrascu, Mihai Burai, Kurian, Jerry, Di Trani, Justin, Dufresne, Caroline, Wahba, Alexander S., Janmamode, Naëla, Mittermaier, Anthony K., and Moitessier, Nicolas

Abstract

Over the past decade, there has been increasing interest in covalent inhibition as a drug design strategy. Our own interest in the development of prolyl oligopeptidase (POP) and fibroblast activation protein α (FAP) covalent inhibitors has led us to question whether these two serine proteases were equal in terms of their reactivity toward electrophilic warheads. To streamline such investigations, we exploited both computational and experimental methods to investigate the influence of different reactive groups on both potency and binding kinetics using both our own series of POP inhibitors and others’ discovered hits. A direct correlation between inhibitor reactivity and residence time was demonstrated through quantum mechanics methods and further supported by experimental studies. This computational method was also successfully applied to FAP, as an overview of known FAP inhibitors confirmed our computational predictions that more reactive warheads (e.g., boronic acids) must be employed to inhibit FAP than for POP.

Published
2024
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7. 3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors

Author

Mariaule, Gaëlle, primary, De Cesco, Stéphane, additional, Airaghi, Francesco, additional, Kurian, Jerry, additional, Schiavini, Paolo, additional, Rocheleau, Sylvain, additional, Huskić, Igor, additional, Auclair, Karine, additional, Mittermaier, Anthony, additional, and Moitessier, Nicolas, additional

Published
2015
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8. Ipso-Nitration of calix[6]azacryptands: intriguing effect of the small rim capping pattern on the large rim substitution selectivity.

Author

Lejeune, Manuel, Picron, Jean-François, Mattiuzzi, Alice, Lascaux, Angélique, De Cesco, Stéphane, Brugnara, Andrea, Thiabaud, Grégory, Darbost, Ulrich, Coquière, David, Colasson, Benoit, Reinaud, Olivia, Jabin, Ivan, Lejeune, Manuel, Picron, Jean-François, Mattiuzzi, Alice, Lascaux, Angélique, De Cesco, Stéphane, Brugnara, Andrea, Thiabaud, Grégory, Darbost, Ulrich, Coquière, David, Colasson, Benoit, Reinaud, Olivia, and Jabin, Ivan

Abstract

The ipso-nitration of calix[6]arene-based molecular receptors is a important synthetic pathway for the elaboration of more sophisticated systems. This reaction has been studied for a variety of capped calixarenes, and a general trend for the regioselective nitration of three aromatic units out of six in moderate to high yield has been observed. This selectivity is, in part, attributed to the electronic connection between the protonated cap at the small rim and the reactive sites at the large rim. In addition, this work highlights the fact that subtle conformational properties can drastically influence the outcome of this reaction., Journal Article, Research Support, Non-U.S. Gov't, SCOPUS: ar.j, info:eu-repo/semantics/published

Published
2012

9. 3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors.

Author

Mariaule, Gaëlle, De Cesco, Stéphane, Airaghi, Francesco, Kurian, Jerry, Schiavini, Paolo, Rocheleau, Sylvain, Huskić, Igor, Auclair, Karine, Mittermaier, Anthony, and Moitessier, Nicolas

Subjects
*PHYSIOLOGICAL effects of carboxylic acids, *ENZYME inhibitors, *PHARMACEUTICAL chemistry, *DRUG design, *MOLECULAR docking, *ENDOPEPTIDASES
Abstract

Bicyclic chiral scaffolds are privileged motifs in medicinal chemistry. Over the years, we have reported covalent bicyclic prolyl oligopeptidase inhibitors that were highly selective for POP over a number of homologous proteins. Herein, we wish to report the structure-based design and synthesis of a novel class of POP inhibitors based on hexahydroisoindoles. A docking study guided the selection of structures for synthesis. The stereochemistry, decoration, and position within the molecule of the bicyclic scaffolds were assessed virtually. Following the synthesis of the best candidates, in vitro assays revealed that one member of this chemical series was more active than any of our previous inhibitors with a Ki of 1.0 nM. Additional assays also showed that the scaffold of this potent inhibitor, in contrast to one of our previously reported chemical series, is highly metabolically stable, despite the foreseen potential sites of metabolism. Interestingly, computer docking calculations accurately predicted the optimal features of the inhibitors. [ABSTRACT FROM AUTHOR]

Published
2016
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10. Virtual Screening and Computational Optimization for the Discovery of Covalent Prolyl Oligopeptidase Inhibitors with Activity in Human Cells

Author

De Cesco, Stéphane, primary, Deslandes, Sébastien, additional, Therrien, Eric, additional, Levan, David, additional, Cueto, Mickaël, additional, Schmidt, Ralf, additional, Cantin, Louis-David, additional, Mittermaier, Anthony, additional, Juillerat-Jeanneret, Lucienne, additional, and Moitessier, Nicolas, additional

Published
2012
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11. Ipso-Nitration of Calix[6]azacryptands: Intriguing Effect of the Small Rim Capping Pattern on the Large Rim Substitution Selectivity

Author

Lejeune, Manuel, primary, Picron, Jean-François, additional, Mattiuzzi, Alice, additional, Lascaux, Angélique, additional, De Cesco, Stéphane, additional, Brugnara, Andrea, additional, Thiabaud, Gregory, additional, Darbost, Ulrich, additional, Coquière, David, additional, Colasson, Benoit, additional, Reinaud, Olivia, additional, and Jabin, Ivan, additional

Published
2012
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