In silico analysis of echinocandins binding to the main proteases of coronaviruses PEDV (3CL^pro) and SARS-CoV-2 (M^pro).

ABSTRACT: The porcine epidemic diarrhea virus (PEDV) and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) are two highly pathogenic viruses causing tremendous damages to the swine and human populations, respectively. Vaccines are available to prevent contamination and to limit dissemination of these two coronaviruses, but efficient and widely affordable treatments are needed. Recently, four natural products targeting the 3C-like protease (3CL^pro) of PEDV and inhibiting replication of the virus in vitro have been identified: tomatidine, epigallocatechin-3-gallate, buddlejasaponin IVb and pneumocandin B0. We have evaluated the interaction of these compounds with 3CL^pro of PEDV and with the structurally similar main protease (M^pro) of SARS-CoV-2. The molecul

SUBMITTER: Vergoten G 

PROVIDER: S-EPMC8248761 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature