In silico identification of strong binders of the SARS-CoV-2 receptor-binding domain.

ABSTRACT: The world is currently witnessing the spread of the deadly severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that causes the coronavirus disease 2019 (COVID-19). In less than three months since the first cases were reported, the World Health Organization declared it a pandemic disease. Although several treatment and prevention strategies are currently under investigation, a continuous effort to investigate and develop effective cures is urgently needed. Thus, we performed molecular docking and structure-based virtual screening of libraries of approved drugs, antivirals, inhibitors of protein-protein interactions, and one million other small molecules to identify strong binders of the SARS-CoV-2 receptor-binding domain (RBD) that might interfere with the receptor recognition proc

SUBMITTER: Behloul N 

PROVIDER: S-EPMC7598446 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature