NMR spectroscopy can help accelerate antiviral drug discovery programs

Laplante, Steven ORCID: https://orcid.org/0000-0003-2835-5789; Coric, Pascale; Bouaziz, Serge et Franca, Tanos Celmar Costa (2024). NMR spectroscopy can help accelerate antiviral drug discovery programs Microbes and Infection , vol. 26 , nº 7. pp. 1-15. DOI: 10.1016/j.micinf.2024.105297.

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Résumé

Small molecule drugs have an important role to play in combating viral infections, and biophysics support has been central for contributing to the discovery and design of direct acting antivirals. Perhaps one of the most successful biophysical tools for this purpose is NMR spectroscopy when utilized strategically and pragmatically within team workflows and timelines. This report describes some clear examples of how NMR applications contributed to the design of antivirals when combined with medicinal chemistry, biochemistry, X-ray crystallography and computational chemistry. Overall, these multidisciplinary approaches allowed teams to reveal and expose compound physical properties from which design ideas were spawned and tested to achieve the desired successes. Examples are discussed for the discovery of antivirals that target HCV, HIV and SARS-CoV-2.

Type de document:	Article
Informations complémentaires:	Numéro du document: 105297
Mots-clés libres:	Drug design; Drug discovery; Fragment screening; Lead discovery; NMR; Virus
Centre:	Centre INRS-Institut Armand Frappier
Date de dépôt:	26 déc. 2024 15:28
Dernière modification:	26 déc. 2024 15:28
URI:	https://espace.inrs.ca/id/eprint/15964

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