Indole alkaloids as potential candidates against COVID-19: an in silico study.

ABSTRACT: COVID-19 has recently grown to be pandemic all around the world. Therefore, efforts to find effective drugs for the treatment of COVID-19 are needed to improve humans' life quality and survival. Since the main protease (M^pro) of SARS-CoV-2 plays a crucial role in viral replication and transcription, the inhibition of this enzyme could be a promising and challenging therapeutic target to fight COVID-19. The present study aims to identify alkaloid compounds as new potential inhibitors for SARS-CoV-2 M^pro by the hybrid modeling analyses. The docking-based virtual screening method assessed a collection of alkaloids extracted from over 500 medicinal plants and sponges. In order to validate the docking process, classical molecular dynamic simulations were applied on selecte

SUBMITTER: Mohseni M 

PROVIDER: S-EPMC9094126 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature