Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19.

ABSTRACT: The new Coronavirus (SARS-CoV-2) is the cause of a serious infection in the respiratory tract called COVID-19. Structures of the main protease of SARS-CoV-2 (M^pro), responsible for the replication of the virus, have been solved and quickly made available, thus allowing the design of compounds that could interact with this protease and thus to prevent the progression of the disease by avoiding the viral peptide to be cleaved, so that smaller viral proteins can be released into the host's plasma. These structural data are extremely important for in silico design and development of compounds as well, being possible to quick and effectively identify potential inhibitors addressed to such enzyme's structure. Therefore, in order to identify potential inhibitors for M^pro, we

SUBMITTER: Hage-Melim LIDS 

PROVIDER: S-EPMC7289103 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature