Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods.

ABSTRACT: SARS-CoV-2 has caused tens of thousands of infections and more than one thousand deaths. There are currently no registered therapies for treating coronavirus infections. Because of time consuming process of new drug development, drug repositioning may be the only solution to the epidemic of sudden infectious diseases. We systematically analyzed all the proteins encoded by SARS-CoV-2 genes, compared them with proteins from other coronaviruses, predicted their structures, and built 19 structures that could be done by homology modeling. By performing target-based virtual ligand screening, a total of 21 targets (including two human targets) were screened against compound libraries including ZINC drug database and our own database of natural products. Structure and screening results of importan

SUBMITTER: Wu C 

PROVIDER: S-EPMC7102550 | biostudies-literature | 2020 May

REPOSITORIES: biostudies-literature