In Silico Identification and In Vitro Validation of Repurposed Compounds Targeting the RSV Polymerase.

ABSTRACT: Respiratory Syncytial Virus (RSV) is the top cause of infant hospitalization globally, with no effective treatments available. Researchers have sought small molecules to target the RNA-dependent RNA Polymerase (RdRP) of RSV, which is essential for replication and transcription. Based on the cryo-EM structure of the RSV polymerase, in silico computational analysis including molecular docking and the protein-ligand simulation of a database, including 6554 molecules, is currently undergoing phases 1-4 of clinical trials and has resulted in the top ten repurposed compound candidates against the RSV polymerase, including Micafungin, Totrombopag, and Verubecestat. We performed the same procedure to evaluate 18 small molecules from previous studies and chose the top four compounds for comparison.

SUBMITTER: Xu E 

PROVIDER: S-EPMC10302583 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature