NMR spectroscopy can help accelerate antiviral drug discovery programs.

Autor: LaPlante SR; Pasteur Network, INRS-Centre Armand-Frappier Santé Biotechnologie, 531 Boulevard des Prairies, Laval, Québec, H7V 1B7, Canada; NMX Research and Solutions, Inc., 500 Boulevard Cartier Ouest, Laval, Québec, H7V 5B7, Canada; Université Paris Cité, CNRS, CiTCoM, F-75006, Paris, France. Electronic address: steven.laplante@inrs.ca., Coric P; Université Paris Cité, CNRS, CiTCoM, F-75006, Paris, France., Bouaziz S; Université Paris Cité, CNRS, CiTCoM, F-75006, Paris, France., França TCC; Pasteur Network, INRS-Centre Armand-Frappier Santé Biotechnologie, 531 Boulevard des Prairies, Laval, Québec, H7V 1B7, Canada.
Jazyk: angličtina
Zdroj: Microbes and infection [Microbes Infect] 2024 Sep-Oct; Vol. 26 (7), pp. 105297. Date of Electronic Publication: 2024 Jan 09.
DOI: 10.1016/j.micinf.2024.105297
Abstrakt: 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.
(Copyright © 2024 The Authors. Published by Elsevier Masson SAS.. All rights reserved.)
Databáze: MEDLINE
Externí odkaz: