NMR spectroscopy can help accelerate antiviral drug discovery programs.
Microbes Infect
; 26(7): 105297, 2024.
Article
en En
| MEDLINE
| ID: mdl-38199267
ABSTRACT
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.
Palabras clave
Texto completo:
1
Bases de datos:
MEDLINE
Asunto principal:
Antivirales
/
Espectroscopía de Resonancia Magnética
/
Descubrimiento de Drogas
/
SARS-CoV-2
Límite:
Humans
Idioma:
En
Revista:
Microbes Infect
Asunto de la revista:
ALERGIA E IMUNOLOGIA
/
MICROBIOLOGIA
Año:
2024
Tipo del documento:
Article