NMR spectroscopy can help accelerate antiviral drug discovery programs
Steven R LaPlante1, Pascale Coric2, Serge Bouaziz2
1Pasteur 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.
Microbes and Infection
|January 10, 2024
Summary
Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful biophysical tool for designing direct-acting antivirals. Multidisciplinary approaches using NMR accelerate the discovery of drugs targeting viruses like HCV, HIV, and SARS-CoV-2.
Area of Science:
- Biophysics
- Medicinal Chemistry
- Drug Discovery
Background:
- Small molecule drugs are crucial for antiviral therapies.
- Biophysics plays a key role in discovering and designing direct-acting antivirals.
- NMR spectroscopy is a highly effective biophysical tool in this field.
Purpose of the Study:
- To illustrate how NMR spectroscopy aids in the design of antivirals.
- To showcase multidisciplinary approaches combining biophysics with other sciences.
- To provide examples of successful antiviral drug design targeting specific viruses.
Main Methods:
- Strategic and pragmatic application of NMR spectroscopy within team workflows.
- Integration of NMR data with medicinal chemistry, biochemistry, X-ray crystallography, and computational chemistry.
- Analysis of compound physical properties to inform drug design.
Main Results:
- NMR applications demonstrably contributed to the design of effective antivirals.
- Multidisciplinary teams successfully utilized compound physical properties for design innovation.
- Successful examples include antivirals targeting Hepatitis C Virus (HCV), Human Immunodeficiency Virus (HIV), and SARS-CoV-2.
Conclusions:
- NMR spectroscopy is a vital tool for advancing antiviral drug discovery.
- Integrated, multidisciplinary strategies enhance the success rate of antiviral development.
- This approach facilitates the identification and optimization of novel antiviral compounds.
