Identification, Characterization and Drug Discovery for Novel Target Sites for SARS‐CoV‐2 Proteins

ABSTRACT: The virus SARS‐CoV‐2, the cause of the current COVID‐19 pandemic, is not well understood. It is critical to understand how the viral proteins function and how their function may be modulated. Inhibitors that target these enzymes serve as potential therapeutic interventions against COVID‐19. This work uses artificial intelligence methods developed by us to find sites that other methods may not find and therefore, identify potential exosites, allosteric sites, or other sites of interaction in the structures of viral proteins to serve as new targets for the development of antiviral agents. Large datasets of natural and synthetic compounds are computationally searched for molecules that fit into these alternative sites, and any compounds that fit will be targeted for experimental testing for t

SUBMITTER: Iyengar S 

PROVIDER: S-EPMC8239550 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature