Informatics and Computational Approaches for the Discovery and Optimization of Natural Product-Inspired Inhibitors of the SARS-CoV-2 2′-O-Methyltransferase

• Main Authors: Hanna, George S., Benjamin, Menny M., Choo, Yeun-Mun, De, Ramyani, Schinazi, Raymond F., Nielson, Sarah E., Hevel, Joan M., Hamann, Mark T.
• Format: Article
• Published: American Chemical Society 2024
• Subjects: QD Chemistry
• Online Access: http://eprints.um.edu.my/45763/; https://doi.org/10.1021/acs.jnatprod.3c00875

The urgent need for new classes of orally available, safe, and effective antivirals-covering a breadth of emerging viruses-is evidenced by the loss of life and economic challenges created by the HIV-1 and SARS-CoV-2 pandemics. As frontline interventions, small-molecule antivirals can be deployed pro...