Investigating Pb2 CAP-binding domain inhibitors from marine bacteria for targeting the influenza A H5N1.

ABSTRACT: The ongoing increase in the prevalence and mutation rate of the influenza virus remains a critical global health issue. A promising strategy for antiviral drug development involves targeting the RNA-dependent RNA polymerase, specifically the PB2-cap binding domain of Influenza A H5N1. This study employs an in-silico approach to inhibit this domain, crucial for viral replication, using potential inhibitors derived from marine bacterial compounds. Utilizing the MTi-OpenScreen web server, we screened a library of compounds to assess their molecular interactions with the target. This process identified four potential inhibitors: CMNPD25830, CMNPD18675, CMNPD18676, and CMNPD27216. Subsequent molecular dynamics simulations, conducted using the Amber software suite, evaluated their binding affini

SUBMITTER: Kumosani TA 

PROVIDER: S-EPMC11774345 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature