A Computer-Aided Approach for the Discovery of D-Peptides as Inhibitors of SARS-CoV-2 Main Protease.

ABSTRACT: The SARS-CoV-2 main protease, also known as 3-chymotrypsin-like protease (3CL^pro), is a cysteine protease responsible for the cleavage of viral polyproteins pp1a and pp1ab, at least, at eleven conserved sites, which leads to the formation of mature nonstructural proteins essential for the replication of the virus. Due to its essential role, numerous studies have been conducted so far, which have confirmed 3CL^pro as an attractive drug target to combat Covid-19 and have reported a vast number of inhibitors and their co-crystal structures. Despite all the ongoing efforts, D-peptides, which possess key advantages over L-peptides as therapeutic agents, have not been explored as potential drug candidates against 3CL^pro. The current work fills this gap by reportin

SUBMITTER: Hernandez Gonzalez JE 

PROVIDER: S-EPMC8852625 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature