Computational Repurposing of Drugs and Natural Products Against SARS-CoV-2 Main Protease (M^pro) as Potential COVID-19 Therapies.

ABSTRACT: We urgently need to identify drugs to treat patients suffering from COVID-19 infection. Drugs rarely act at single molecular targets. Off-target effects are responsible for undesirable side effects and beneficial synergy between targets for specific illnesses. They have provided blockbuster drugs, e.g., Viagra for erectile dysfunction and Minoxidil for male pattern baldness. Existing drugs, those in clinical trials, and approved natural products constitute a rich resource of therapeutic agents that can be quickly repurposed, as they have already been assessed for safety in man. A key question is how to screen such compounds rapidly and efficiently for activity against new pandemic pathogens such as SARS-CoV-2. Here, we show how a fast and robust computational process can be used to screen

SUBMITTER: Piplani S 

PROVIDER: S-EPMC8964187 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature