Discovery of Small-Molecule Inhibitors Against Norovirus 3CL^pro Using Structure-Based Virtual Screening and FlipGFP Assay.

ABSTRACT: Norovirus, a major cause of acute gastroenteritis, possesses a single-stranded positive-sense RNA genome. The viral 3C-like cysteine protease (3CL^pro) plays a critical role in processing the viral polyprotein into mature non-structural proteins, a step essential for viral replication. Targeting 3CL^pro has emerged as a promising strategy for developing small-molecule inhibitors against Norovirus. In this study, we employed a combination of virtual screening and the FlipGFP assay to identify potential inhibitors targeting the 3CL^pro of Norovirus genotype GII.4. A library of approximately 58,800 compounds was screened using AutoDock Vina tool, yielding 20 candidate compounds based on their Max Affinity scores. These compounds were subsequently evaluated using

SUBMITTER: Shen H 

PROVIDER: S-EPMC12197363 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature