Discovering Drug Seeds by Practical NMR Strategies

Laplante, Steven . Discovering Drug Seeds by Practical NMR Strategies In: ENC 2016 - 57th Experimental Nuclear Magnetic Resonance Conference, April 9-14, 2016, Pittsburg, United-States of America.

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Résumé

Small molecule drugs continue to be crucial for combating diseases. This presentation will convey the critical role NMR has been playing for discovering the seeds for new drugs starting from substrate peptides, high-throughput screens and fragment-based screens. Central to all the examples was the need to better understand the properties of small molecules when free in solution and to decipher the various types of binding to macromolecules. To do so, appropriate NMR methods/strategies were developed to prioritize quality ligands for downfield medicinal chemistry purposes. Examples will be shown where NMR strategies revealed compound solution behavior (solubility, aggregation, atropisomer chirality), exposed target protein features (folding and changes), and determined stoichiometric binding attributes(see Figures 1 and 2).

Type de document:	Document issu d'une conférence ou d'un atelier
Mots-clés libres:	-
Centre:	Centre INRS-Institut Armand Frappier
Date de dépôt:	28 déc. 2017 14:18
Dernière modification:	28 déc. 2017 14:24
URI:	https://espace.inrs.ca/id/eprint/5742

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