Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease.

ABSTRACT: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection has resulted in the current COVID-19 pandemic. Worldwide this disease has infected over 2.5 million individuals with a mortality rate ranging from 5 to 10%. There are several efforts going on in the drug discovery to control the SARS-CoV-2 viral infection. The main protease (M^Pro) plays a critical role in viral replication and maturation, thus can serve as the primary drug target. To understand the structural evolution of M^Pro, we have performed phylogenetic and Sequence Similarity Network analysis, that depicted divergence of Coronaviridae M^Pro in five clusters specific to viral hosts. This clustering was corroborated with the comparison of M^Pro structures. Furthermore, it ha

SUBMITTER: Joshi RS 

PROVIDER: S-EPMC7212545 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature