Prioritisation of Compounds for 3CL^pro Inhibitor Development on SARS-CoV-2 Variants.

ABSTRACT: COVID-19 represents a new potentially life-threatening illness caused by severe acute respiratory syndrome coronavirus 2 or SARS-CoV-2 pathogen. In 2021, new variants of the virus with multiple key mutations have emerged, such as B.1.1.7, B.1.351, P.1 and B.1.617, and are threatening to render available vaccines or potential drugs ineffective. In this regard, we highlight 3CL^pro, the main viral protease, as a valuable therapeutic target that possesses no mutations in the described pandemically relevant variants. 3CL^pro could therefore provide trans-variant effectiveness that is supported by structural studies and possesses readily available biological evaluation experiments. With this in mind, we performed a high throughput virtual screening experiment using CmDock an

SUBMITTER: Jukic M 

PROVIDER: S-EPMC8158358 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature